BibTeX records: Igor V. Tetko

download as .bib file

@article{DBLP:journals/jcheminf/HartogKGT24,
  author       = {Peter B. R. Hartog and
                  Fabian Kr{\"{u}}ger and
                  Samuel Genheden and
                  Igor V. Tetko},
  title        = {Using test-time augmentation to investigate explainable {AI:} inconsistencies
                  between method, model and human intuition},
  journal      = {J. Cheminformatics},
  volume       = {16},
  number       = {1},
  pages        = {39},
  year         = {2024},
  url          = {https://doi.org/10.1186/s13321-024-00824-1},
  doi          = {10.1186/S13321-024-00824-1},
  timestamp    = {Thu, 11 Apr 2024 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcheminf/HartogKGT24.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/VoinarovskaKDGT24,
  author       = {Varvara Voinarovska and
                  Mikhail Kabeshov and
                  Dmytro Dudenko and
                  Samuel Genheden and
                  Igor V. Tetko},
  title        = {When Yield Prediction Does Not Yield Prediction: An Overview of the
                  Current Challenges},
  journal      = {J. Chem. Inf. Model.},
  volume       = {64},
  number       = {1},
  pages        = {42--56},
  year         = {2024},
  url          = {https://doi.org/10.1021/acs.jcim.3c01524},
  doi          = {10.1021/ACS.JCIM.3C01524},
  timestamp    = {Fri, 08 Mar 2024 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/VoinarovskaKDGT24.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-2407-20786,
  author       = {Igor V. Tetko and
                  Ruud van Deursen and
                  Guillaume Godin},
  title        = {Be aware of overfitting by hyperparameter optimization!},
  journal      = {CoRR},
  volume       = {abs/2407.20786},
  year         = {2024},
  url          = {https://doi.org/10.48550/arXiv.2407.20786},
  doi          = {10.48550/ARXIV.2407.20786},
  eprinttype    = {arXiv},
  eprint       = {2407.20786},
  timestamp    = {Wed, 21 Aug 2024 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/corr/abs-2407-20786.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-2308-05522,
  author       = {Paula Torren{-}Peraire and
                  Alan Kai Hassen and
                  Samuel Genheden and
                  Jonas Verhoeven and
                  Djork{-}Arn{\'{e}} Clevert and
                  Mike Preuss and
                  Igor V. Tetko},
  title        = {Models Matter: The Impact of Single-Step Retrosynthesis on Synthesis
                  Planning},
  journal      = {CoRR},
  volume       = {abs/2308.05522},
  year         = {2023},
  url          = {https://doi.org/10.48550/arXiv.2308.05522},
  doi          = {10.48550/ARXIV.2308.05522},
  eprinttype    = {arXiv},
  eprint       = {2308.05522},
  timestamp    = {Tue, 30 Jan 2024 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/corr/abs-2308-05522.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/informatics/XiaKPST22,
  author       = {Zhonghua Xia and
                  Pavel Karpov and
                  Grzegorz M. Popowicz and
                  Michael Sattler and
                  Igor V. Tetko},
  title        = {What Features of Ligands Are Relevant to the Opening of Cryptic Pockets
                  in Drug Targets?},
  journal      = {Informatics},
  volume       = {9},
  number       = {1},
  pages        = {8},
  year         = {2022},
  url          = {https://doi.org/10.3390/informatics9010008},
  doi          = {10.3390/INFORMATICS9010008},
  timestamp    = {Tue, 28 Jun 2022 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/informatics/XiaKPST22.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-2212-11809,
  author       = {Alan Kai Hassen and
                  Paula Torren{-}Peraire and
                  Samuel Genheden and
                  Jonas Verhoeven and
                  Mike Preuss and
                  Igor V. Tetko},
  title        = {Mind the Retrosynthesis Gap: Bridging the divide between Single-step
                  and Multi-step Retrosynthesis Prediction},
  journal      = {CoRR},
  volume       = {abs/2212.11809},
  year         = {2022},
  url          = {https://doi.org/10.48550/arXiv.2212.11809},
  doi          = {10.48550/ARXIV.2212.11809},
  eprinttype    = {arXiv},
  eprint       = {2212.11809},
  timestamp    = {Mon, 02 Jan 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/corr/abs-2212-11809.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/XiaKPT20,
  author       = {Zhonghua Xia and
                  Pavel Karpov and
                  Grzegorz M. Popowicz and
                  Igor V. Tetko},
  title        = {Focused Library Generator: case of Mdmx inhibitors},
  journal      = {J. Comput. Aided Mol. Des.},
  volume       = {34},
  number       = {7},
  pages        = {769--782},
  year         = {2020},
  url          = {https://doi.org/10.1007/s10822-019-00242-8},
  doi          = {10.1007/S10822-019-00242-8},
  timestamp    = {Wed, 15 Jun 2022 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcamd/XiaKPT20.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/KarpovGT20,
  author       = {Pavel Karpov and
                  Guillaume Godin and
                  Igor V. Tetko},
  title        = {Transformer-CNN: Swiss knife for {QSAR} modeling and interpretation},
  journal      = {J. Cheminformatics},
  volume       = {12},
  number       = {1},
  pages        = {17},
  year         = {2020},
  url          = {https://doi.org/10.1186/s13321-020-00423-w},
  doi          = {10.1186/S13321-020-00423-W},
  timestamp    = {Fri, 25 Dec 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcheminf/KarpovGT20.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/DeursenETG20,
  author       = {Ruud van Deursen and
                  Peter Ertl and
                  Igor V. Tetko and
                  Guillaume Godin},
  title        = {{GEN:} highly efficient {SMILES} explorer using autodidactic generative
                  examination networks},
  journal      = {J. Cheminformatics},
  volume       = {12},
  number       = {1},
  pages        = {22},
  year         = {2020},
  url          = {https://doi.org/10.1186/s13321-020-00425-8},
  doi          = {10.1186/S13321-020-00425-8},
  timestamp    = {Fri, 14 Aug 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcheminf/DeursenETG20.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/SkutaCDKWTBS20,
  author       = {Ctibor Skuta and
                  Isidro Cortes{-}Ciriano and
                  Wim Dehaen and
                  Pavel Kr{\'{\i}}z and
                  Gerard J. P. van Westen and
                  Igor V. Tetko and
                  Andreas Bender and
                  Daniel Svozil},
  title        = {QSAR-derived affinity fingerprints (part 1): fingerprint construction
                  and modeling performance for similarity searching, bioactivity classification
                  and scaffold hopping},
  journal      = {J. Cheminformatics},
  volume       = {12},
  number       = {1},
  pages        = {39},
  year         = {2020},
  url          = {https://doi.org/10.1186/s13321-020-00443-6},
  doi          = {10.1186/S13321-020-00443-6},
  timestamp    = {Tue, 16 Aug 2022 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcheminf/SkutaCDKWTBS20.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/TetkoE20,
  author       = {Igor V. Tetko and
                  Ola Engkvist},
  title        = {From Big Data to Artificial Intelligence: chemoinformatics meets new
                  challenges},
  journal      = {J. Cheminformatics},
  volume       = {12},
  number       = {1},
  pages        = {74},
  year         = {2020},
  url          = {https://doi.org/10.1186/s13321-020-00475-y},
  doi          = {10.1186/S13321-020-00475-Y},
  timestamp    = {Tue, 01 Jun 2021 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcheminf/TetkoE20.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/TetkoT20,
  author       = {Igor V. Tetko and
                  Alexander Tropsha},
  title        = {Joint Virtual Special Issue on Computational Toxicology},
  journal      = {J. Chem. Inf. Model.},
  volume       = {60},
  number       = {3},
  pages        = {1069--1071},
  year         = {2020},
  url          = {https://doi.org/10.1021/acs.jcim.0c00140},
  doi          = {10.1021/ACS.JCIM.0C00140},
  timestamp    = {Tue, 01 Jun 2021 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/TetkoT20.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-2003-02804,
  author       = {Igor V. Tetko and
                  Pavel Karpov and
                  Ruud van Deursen and
                  Guillaume Godin},
  title        = {Augmented Transformer Achieves 97{\%} and 85{\%} for Top5 Prediction
                  of Direct and Classical Retro-Synthesis},
  journal      = {CoRR},
  volume       = {abs/2003.02804},
  year         = {2020},
  url          = {https://arxiv.org/abs/2003.02804},
  eprinttype    = {arXiv},
  eprint       = {2003.02804},
  timestamp    = {Tue, 10 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/corr/abs-2003-02804.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-2010-01027,
  author       = {Ruud van Deursen and
                  Igor V. Tetko and
                  Guillaume Godin},
  title        = {Beyond Chemical 1D knowledge using Transformers},
  journal      = {CoRR},
  volume       = {abs/2010.01027},
  year         = {2020},
  url          = {https://arxiv.org/abs/2010.01027},
  eprinttype    = {arXiv},
  eprint       = {2010.01027},
  timestamp    = {Tue, 13 Oct 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/corr/abs-2010-01027.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/SosninKTF19,
  author       = {Sergey Sosnin and
                  Dmitry Karlov and
                  Igor V. Tetko and
                  Maxim V. Fedorov},
  title        = {Comparative Study of Multitask Toxicity Modeling on a Broad Chemical
                  Space},
  journal      = {J. Chem. Inf. Model.},
  volume       = {59},
  number       = {3},
  pages        = {1062--1072},
  year         = {2019},
  url          = {https://doi.org/10.1021/acs.jcim.8b00685},
  doi          = {10.1021/ACS.JCIM.8B00685},
  timestamp    = {Tue, 01 Jun 2021 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/SosninKTF19.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/icann/GhoshTKNK19,
  author       = {Dipan Ghosh and
                  Igor V. Tetko and
                  Bert Klebl and
                  Peter Nussbaumer and
                  Uwe Koch},
  editor       = {Igor V. Tetko and
                  Vera Kurkov{\'{a}} and
                  Pavel Karpov and
                  Fabian J. Theis},
  title        = {Analysis and Modelling of False Positives in {GPCR} Assays},
  booktitle    = {Artificial Neural Networks and Machine Learning - {ICANN} 2019 - 28th
                  International Conference on Artificial Neural Networks, Munich, Germany,
                  September 17-19, 2019, Proceedings - Workshop and Special Sessions},
  series       = {Lecture Notes in Computer Science},
  volume       = {11731},
  pages        = {764--770},
  publisher    = {Springer},
  year         = {2019},
  url          = {https://doi.org/10.1007/978-3-030-30493-5\_71},
  doi          = {10.1007/978-3-030-30493-5\_71},
  timestamp    = {Thu, 31 Oct 2019 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/conf/icann/GhoshTKNK19.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/icann/KarpovGT19,
  author       = {Pavel Karpov and
                  Guillaume Godin and
                  Igor V. Tetko},
  editor       = {Igor V. Tetko and
                  Vera Kurkov{\'{a}} and
                  Pavel Karpov and
                  Fabian J. Theis},
  title        = {A Transformer Model for Retrosynthesis},
  booktitle    = {Artificial Neural Networks and Machine Learning - {ICANN} 2019 - 28th
                  International Conference on Artificial Neural Networks, Munich, Germany,
                  September 17-19, 2019, Proceedings - Workshop and Special Sessions},
  series       = {Lecture Notes in Computer Science},
  volume       = {11731},
  pages        = {817--830},
  publisher    = {Springer},
  year         = {2019},
  url          = {https://doi.org/10.1007/978-3-030-30493-5\_78},
  doi          = {10.1007/978-3-030-30493-5\_78},
  timestamp    = {Thu, 31 Oct 2019 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/conf/icann/KarpovGT19.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/icann/TetkoKBKG19,
  author       = {Igor V. Tetko and
                  Pavel Karpov and
                  Eric Bruno and
                  Talia B. Kimber and
                  Guillaume Godin},
  editor       = {Igor V. Tetko and
                  Vera Kurkov{\'{a}} and
                  Pavel Karpov and
                  Fabian J. Theis},
  title        = {Augmentation Is What You Need!},
  booktitle    = {Artificial Neural Networks and Machine Learning - {ICANN} 2019 - 28th
                  International Conference on Artificial Neural Networks, Munich, Germany,
                  September 17-19, 2019, Proceedings - Workshop and Special Sessions},
  series       = {Lecture Notes in Computer Science},
  volume       = {11731},
  pages        = {831--835},
  publisher    = {Springer},
  year         = {2019},
  url          = {https://doi.org/10.1007/978-3-030-30493-5\_79},
  doi          = {10.1007/978-3-030-30493-5\_79},
  timestamp    = {Thu, 31 Oct 2019 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/conf/icann/TetkoKBKG19.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@proceedings{DBLP:conf/icann/2019-1,
  editor       = {Igor V. Tetko and
                  Vera Kurkov{\'{a}} and
                  Pavel Karpov and
                  Fabian J. Theis},
  title        = {Artificial Neural Networks and Machine Learning - {ICANN} 2019: Theoretical
                  Neural Computation - 28th International Conference on Artificial Neural
                  Networks, Munich, Germany, September 17-19, 2019, Proceedings, Part
                  {I}},
  series       = {Lecture Notes in Computer Science},
  volume       = {11727},
  publisher    = {Springer},
  year         = {2019},
  url          = {https://doi.org/10.1007/978-3-030-30487-4},
  doi          = {10.1007/978-3-030-30487-4},
  isbn         = {978-3-030-30486-7},
  timestamp    = {Sat, 19 Oct 2019 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/conf/icann/2019-1.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@proceedings{DBLP:conf/icann/2019-2,
  editor       = {Igor V. Tetko and
                  Vera Kurkov{\'{a}} and
                  Pavel Karpov and
                  Fabian J. Theis},
  title        = {Artificial Neural Networks and Machine Learning - {ICANN} 2019: Deep
                  Learning - 28th International Conference on Artificial Neural Networks,
                  Munich, Germany, September 17-19, 2019, Proceedings, Part {II}},
  series       = {Lecture Notes in Computer Science},
  volume       = {11728},
  publisher    = {Springer},
  year         = {2019},
  url          = {https://doi.org/10.1007/978-3-030-30484-3},
  doi          = {10.1007/978-3-030-30484-3},
  isbn         = {978-3-030-30483-6},
  timestamp    = {Sat, 19 Oct 2019 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/conf/icann/2019-2.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@proceedings{DBLP:conf/icann/2019-3,
  editor       = {Igor V. Tetko and
                  Vera Kurkov{\'{a}} and
                  Pavel Karpov and
                  Fabian J. Theis},
  title        = {Artificial Neural Networks and Machine Learning - {ICANN} 2019: Image
                  Processing - 28th International Conference on Artificial Neural Networks,
                  Munich, Germany, September 17-19, 2019, Proceedings, Part {III}},
  series       = {Lecture Notes in Computer Science},
  volume       = {11729},
  publisher    = {Springer},
  year         = {2019},
  url          = {https://doi.org/10.1007/978-3-030-30508-6},
  doi          = {10.1007/978-3-030-30508-6},
  isbn         = {978-3-030-30507-9},
  timestamp    = {Sat, 19 Oct 2019 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/conf/icann/2019-3.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@proceedings{DBLP:conf/icann/2019-4,
  editor       = {Igor V. Tetko and
                  Vera Kurkov{\'{a}} and
                  Pavel Karpov and
                  Fabian J. Theis},
  title        = {Artificial Neural Networks and Machine Learning - {ICANN} 2019: Text
                  and Time Series - 28th International Conference on Artificial Neural
                  Networks, Munich, Germany, September 17-19, 2019, Proceedings, Part
                  {IV}},
  series       = {Lecture Notes in Computer Science},
  volume       = {11730},
  publisher    = {Springer},
  year         = {2019},
  url          = {https://doi.org/10.1007/978-3-030-30490-4},
  doi          = {10.1007/978-3-030-30490-4},
  isbn         = {978-3-030-30489-8},
  timestamp    = {Sat, 19 Oct 2019 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/conf/icann/2019-4.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@proceedings{DBLP:conf/icann/2019w,
  editor       = {Igor V. Tetko and
                  Vera Kurkov{\'{a}} and
                  Pavel Karpov and
                  Fabian J. Theis},
  title        = {Artificial Neural Networks and Machine Learning - {ICANN} 2019 - 28th
                  International Conference on Artificial Neural Networks, Munich, Germany,
                  September 17-19, 2019, Proceedings - Workshop and Special Sessions},
  series       = {Lecture Notes in Computer Science},
  volume       = {11731},
  publisher    = {Springer},
  year         = {2019},
  url          = {https://doi.org/10.1007/978-3-030-30493-5},
  doi          = {10.1007/978-3-030-30493-5},
  isbn         = {978-3-030-30492-8},
  timestamp    = {Sat, 19 Oct 2019 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/conf/icann/2019w.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-1909-04825,
  author       = {Ruud van Deursen and
                  Peter Ertl and
                  Igor V. Tetko and
                  Guillaume Godin},
  title        = {{GEN:} Highly Efficient {SMILES} Explorer Using Autodidactic Generative
                  Examination Networks},
  journal      = {CoRR},
  volume       = {abs/1909.04825},
  year         = {2019},
  url          = {http://arxiv.org/abs/1909.04825},
  eprinttype    = {arXiv},
  eprint       = {1909.04825},
  timestamp    = {Tue, 17 Sep 2019 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/corr/abs-1909-04825.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-1910-13124,
  author       = {Fabio Capela and
                  Vincent Nouchi and
                  Ruud van Deursen and
                  Igor V. Tetko and
                  Guillaume Godin},
  title        = {Multitask Learning On Graph Neural Networks Applied To Molecular Property
                  Predictions},
  journal      = {CoRR},
  volume       = {abs/1910.13124},
  year         = {2019},
  url          = {http://arxiv.org/abs/1910.13124},
  eprinttype    = {arXiv},
  eprint       = {1910.13124},
  timestamp    = {Thu, 31 Oct 2019 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/corr/abs-1910-13124.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-1911-06603,
  author       = {Pavel Karpov and
                  Guillaume Godin and
                  Igor V. Tetko},
  title        = {Transformer-CNN: Fast and Reliable tool for {QSAR}},
  journal      = {CoRR},
  volume       = {abs/1911.06603},
  year         = {2019},
  url          = {http://arxiv.org/abs/1911.06603},
  eprinttype    = {arXiv},
  eprint       = {1911.06603},
  timestamp    = {Wed, 04 Dec 2019 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/corr/abs-1911-06603.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/GhoshKHST18,
  author       = {Dipan Ghosh and
                  Uwe Koch and
                  Kamyar Hadian and
                  Michael Sattler and
                  Igor V. Tetko},
  title        = {Luciferase Advisor: High-Accuracy Model To Flag False Positive Hits
                  in Luciferase {HTS} Assays},
  journal      = {J. Chem. Inf. Model.},
  volume       = {58},
  number       = {5},
  pages        = {933--942},
  year         = {2018},
  url          = {https://doi.org/10.1021/acs.jcim.7b00574},
  doi          = {10.1021/ACS.JCIM.7B00574},
  timestamp    = {Thu, 14 Oct 2021 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/GhoshKHST18.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-1812-04439,
  author       = {Talia B. Kimber and
                  Sebastian Engelke and
                  Igor V. Tetko and
                  Eric Bruno and
                  Guillaume Godin},
  title        = {Synergy Effect between Convolutional Neural Networks and the Multiplicity
                  of {SMILES} for Improvement of Molecular Prediction},
  journal      = {CoRR},
  volume       = {abs/1812.04439},
  year         = {2018},
  url          = {http://arxiv.org/abs/1812.04439},
  eprinttype    = {arXiv},
  eprint       = {1812.04439},
  timestamp    = {Tue, 01 Jan 2019 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/corr/abs-1812-04439.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/TetkoLW16,
  author       = {Igor V. Tetko and
                  Daniel M. Lowe and
                  Antony J. Williams},
  title        = {The development of models to predict melting and pyrolysis point data
                  associated with several hundred thousand compounds mined from {PATENTS}},
  journal      = {J. Cheminformatics},
  volume       = {8},
  number       = {1},
  pages        = {2:1--2:18},
  year         = {2016},
  url          = {https://doi.org/10.1186/s13321-016-0113-y},
  doi          = {10.1186/S13321-016-0113-Y},
  timestamp    = {Wed, 14 Nov 2018 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcheminf/TetkoLW16.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/SushkoNKVAT14,
  author       = {Yurii Sushko and
                  Sergii Novotarskyi and
                  Robert K{\"{o}}rner and
                  Joachim Vogt and
                  Ahmed Abdelaziz and
                  Igor V. Tetko},
  title        = {Prediction-driven matched molecular pairs to interpret QSARs and aid
                  the molecular optimization process},
  journal      = {J. Cheminformatics},
  volume       = {6},
  number       = {1},
  pages        = {48},
  year         = {2014},
  url          = {https://doi.org/10.1186/s13321-014-0048-0},
  doi          = {10.1186/S13321-014-0048-0},
  timestamp    = {Wed, 14 Nov 2018 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcheminf/SushkoNKVAT14.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/TetkoSNPKPCA14,
  author       = {Igor V. Tetko and
                  Yurii Sushko and
                  Sergii Novotarskyi and
                  Luc Patiny and
                  Ivan Kondratov and
                  Alexander E. Petrenko and
                  Larisa Charochkina and
                  Abdullah M. Asiri},
  title        = {How Accurately Can We Predict the Melting Points of Drug-like Compounds?},
  journal      = {J. Chem. Inf. Model.},
  volume       = {54},
  number       = {12},
  pages        = {3320--3329},
  year         = {2014},
  url          = {https://doi.org/10.1021/ci5005288},
  doi          = {10.1021/CI5005288},
  timestamp    = {Fri, 06 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/TetkoSNPKPCA14.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/OprisiuNT13,
  author       = {Ioana Oprisiu and
                  Sergii Novotarskyi and
                  Igor V. Tetko},
  title        = {Modeling of non-additive mixture properties using the Online CHEmical
                  database and Modeling environment {(OCHEM)}},
  journal      = {J. Cheminformatics},
  volume       = {5},
  pages        = {4},
  year         = {2013},
  url          = {https://doi.org/10.1186/1758-2946-5-4},
  doi          = {10.1186/1758-2946-5-4},
  timestamp    = {Thu, 14 Feb 2019 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcheminf/OprisiuNT13.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/NovotarskyiSKT13,
  author       = {Sergii Novotarskyi and
                  Iurii Sushko and
                  Robert K{\"{o}}rner and
                  Igor V. Tetko},
  title        = {Chemogenomic approach to increase accuracy of {QSAR} modeling of inhibition
                  activity against five major {P450} isoforms},
  journal      = {J. Cheminformatics},
  volume       = {5},
  number       = {{S-1}},
  pages        = {23},
  year         = {2013},
  url          = {https://doi.org/10.1186/1758-2946-5-S1-P23},
  doi          = {10.1186/1758-2946-5-S1-P23},
  timestamp    = {Sat, 30 May 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcheminf/NovotarskyiSKT13.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/AbdelazizSPT13,
  author       = {Ahmed Abdelaziz and
                  Alexander Safanyaev and
                  Vladimir A. Palyulin and
                  Igor V. Tetko},
  title        = {Building {QSAR} for {HTS} in vitro assays - a study for the prediction
                  of Aryl hydrocarbon receptor activators},
  journal      = {J. Cheminformatics},
  volume       = {5},
  number       = {{S-1}},
  pages        = {51},
  year         = {2013},
  url          = {https://doi.org/10.1186/1758-2946-5-S1-P51},
  doi          = {10.1186/1758-2946-5-S1-P51},
  timestamp    = {Sat, 30 May 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcheminf/AbdelazizSPT13.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/TetkoNSIPDLM13,
  author       = {Igor V. Tetko and
                  Sergii Novotarskyi and
                  Iurii Sushko and
                  Vladimir Ivanov and
                  Alexander E. Petrenko and
                  Reiner Dieden and
                  Florence Lebon and
                  Beno{\^{\i}}t Mathieu},
  title        = {Development of Dimethyl Sulfoxide Solubility Models Using 163 000
                  Molecules: Using a Domain Applicability Metric to Select More Reliable
                  Predictions},
  journal      = {J. Chem. Inf. Model.},
  volume       = {53},
  number       = {8},
  pages        = {1990--2000},
  year         = {2013},
  url          = {https://doi.org/10.1021/ci400213d},
  doi          = {10.1021/CI400213D},
  timestamp    = {Fri, 06 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/TetkoNSIPDLM13.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/Tetko12,
  author       = {Igor V. Tetko},
  title        = {The perspectives of computational chemistry modeling},
  journal      = {J. Comput. Aided Mol. Des.},
  volume       = {26},
  number       = {1},
  pages        = {135--136},
  year         = {2012},
  url          = {https://doi.org/10.1007/s10822-011-9513-2},
  doi          = {10.1007/S10822-011-9513-2},
  timestamp    = {Thu, 16 Apr 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcamd/Tetko12.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/KornerSNT12,
  author       = {Robert K{\"{o}}rner and
                  Iurii Sushko and
                  Sergii Novotarskyi and
                  Igor V. Tetko},
  title        = {In silico pK\({}_{\mbox{a}}\) prediction},
  journal      = {J. Cheminformatics},
  volume       = {4},
  number       = {{S-1}},
  pages        = {55},
  year         = {2012},
  url          = {https://doi.org/10.1186/1758-2946-4-S1-P55},
  doi          = {10.1186/1758-2946-4-S1-P55},
  timestamp    = {Sat, 30 May 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcheminf/KornerSNT12.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/AbdelazizSTKNT12,
  author       = {Ahmed Abdelaziz and
                  Iurii Sushko and
                  Wolfram Teetz and
                  Robert K{\"{o}}rner and
                  Sergii Novotarskyi and
                  Igor V. Tetko},
  title        = {{QSAR} modeling for In vitro assays: linking ToxCast{\texttrademark}
                  database to the integrated modeling framework "OCHEM"},
  journal      = {J. Cheminformatics},
  volume       = {4},
  number       = {{S-1}},
  pages        = {62},
  year         = {2012},
  url          = {https://doi.org/10.1186/1758-2946-4-S1-P62},
  doi          = {10.1186/1758-2946-4-S1-P62},
  timestamp    = {Thu, 14 Feb 2019 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcheminf/AbdelazizSTKNT12.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/BrandmaierSTO12,
  author       = {Stefan Brandmaier and
                  Ullrika Sahlin and
                  Igor V. Tetko and
                  Tomas {\"{O}}berg},
  title        = {PLS-Optimal: {A} Stepwise D-Optimal Design Based on Latent Variables},
  journal      = {J. Chem. Inf. Model.},
  volume       = {52},
  number       = {4},
  pages        = {975--983},
  year         = {2012},
  url          = {https://doi.org/10.1021/ci3000198},
  doi          = {10.1021/CI3000198},
  timestamp    = {Fri, 06 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/BrandmaierSTO12.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/SushkoSPPT12,
  author       = {Iurii Sushko and
                  Elena Salmina and
                  Vladimir Potemkin and
                  Gennadiy Poda and
                  Igor V. Tetko},
  title        = {ToxAlerts: {A} Web Server of Structural Alerts for Toxic Chemicals
                  and Compounds with Potential Adverse Reactions},
  journal      = {J. Chem. Inf. Model.},
  volume       = {52},
  number       = {8},
  pages        = {2310--2316},
  year         = {2012},
  url          = {https://doi.org/10.1021/ci300245q},
  doi          = {10.1021/CI300245Q},
  timestamp    = {Wed, 12 Apr 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/SushkoSPPT12.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/SushkoNKPRTBAPTTVMEPGGSBPRWKCCAZBNPWTT11,
  author       = {Iurii Sushko and
                  Sergii Novotarskyi and
                  Robert K{\"{o}}rner and
                  Anil Kumar Pandey and
                  Matthias Rupp and
                  Wolfram Teetz and
                  Stefan Brandmaier and
                  Ahmed Abdelaziz and
                  Volodymyr V. Prokopenko and
                  Vsevolod Yu. Tanchuk and
                  Roberto Todeschini and
                  Alexandre Varnek and
                  Gilles Marcou and
                  Peter Ertl and
                  Vladimir Potemkin and
                  Maria A. Grishina and
                  Johann Gasteiger and
                  Christof H. Schwab and
                  Igor I. Baskin and
                  Vladimir A. Palyulin and
                  Eugene V. Radchenko and
                  William J. Welsh and
                  Vladyslav V. Kholodovych and
                  Dmitriy Chekmarev and
                  Artem Cherkasov and
                  Jo{\~{a}}o Aires{-}de{-}Sousa and
                  Qing{-}You Zhang and
                  Andreas Bender and
                  Florian Nigsch and
                  Luc Patiny and
                  Antony J. Williams and
                  Valery Tkachenko and
                  Igor V. Tetko},
  title        = {Online chemical modeling environment {(OCHEM):} web platform for data
                  storage, model development and publishing of chemical information},
  journal      = {J. Comput. Aided Mol. Des.},
  volume       = {25},
  number       = {6},
  pages        = {533--554},
  year         = {2011},
  url          = {https://doi.org/10.1007/s10822-011-9440-2},
  doi          = {10.1007/S10822-011-9440-2},
  timestamp    = {Wed, 12 Apr 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcamd/SushkoNKPRTBAPTTVMEPGGSBPRWKCCAZBNPWTT11.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/SushkoPNKRTBAPTTVMEPGGBPRWKCCAZBNPWTT11,
  author       = {Iurii Sushko and
                  Anil Kumar Pandey and
                  Sergii Novotarskyi and
                  Robert K{\"{o}}rner and
                  Matthias Rupp and
                  Wolfram Teetz and
                  Stefan Brandmaier and
                  Ahmed Abdelaziz and
                  Volodymyr V. Prokopenko and
                  Vsevolod Yu. Tanchuk and
                  Roberto Todeschini and
                  Alexandre Varnek and
                  Gilles Marcou and
                  Peter Ertl and
                  Vladimir Potemkin and
                  Maria A. Grishina and
                  Johann Gasteiger and
                  Igor I. Baskin and
                  Vladimir A. Palyulin and
                  Eugene V. Radchenko and
                  William J. Welsh and
                  Vladyslav V. Kholodovych and
                  Dmitriy Chekmarev and
                  Artem Cherkasov and
                  Jo{\~{a}}o Aires{-}de{-}Sousa and
                  Qing{-}You Zhang and
                  Andreas Bender and
                  Florian Nigsch and
                  Luc Patiny and
                  Antony J. Williams and
                  Valery Tkachenko and
                  Igor V. Tetko},
  title        = {Online chemical modeling environment {(OCHEM):} web platform for data
                  storage, model development and publishing of chemical information},
  journal      = {J. Cheminformatics},
  volume       = {3},
  number       = {{S-1}},
  pages        = {20},
  year         = {2011},
  url          = {https://doi.org/10.1186/1758-2946-3-S1-P20},
  doi          = {10.1186/1758-2946-3-S1-P20},
  timestamp    = {Wed, 12 Apr 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcheminf/SushkoPNKRTBAPTTVMEPGGBPRWKCCAZBNPWTT11.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/NovotarskyiSKPT11,
  author       = {Sergii Novotarskyi and
                  Iurii Sushko and
                  Robert K{\"{o}}rner and
                  Anil Kumar Pandey and
                  Igor V. Tetko},
  title        = {A comparison of different {QSAR} approaches to modeling {CYP450} 1A2
                  inhibition},
  journal      = {J. Chem. Inf. Model.},
  volume       = {51},
  number       = {6},
  pages        = {1271--1280},
  year         = {2011},
  url          = {https://doi.org/10.1021/ci200091h},
  doi          = {10.1021/CI200091H},
  timestamp    = {Fri, 06 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/NovotarskyiSKPT11.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/NovotarskyiSKPRPT10,
  author       = {Sergii Novotarskyi and
                  Iurii Sushko and
                  Robert K{\"{o}}rner and
                  Anil Kumar Pandey and
                  Matthias Rupp and
                  Volodymyr V. Prokopenko and
                  Igor V. Tetko},
  title        = {{OCHEM} - on-line CHEmical database {\&} modeling environment},
  journal      = {J. Cheminformatics},
  volume       = {2},
  number       = {{S-1}},
  pages        = {5},
  year         = {2010},
  url          = {https://doi.org/10.1186/1758-2946-2-S1-P5},
  doi          = {10.1186/1758-2946-2-S1-P5},
  timestamp    = {Thu, 14 Feb 2019 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcheminf/NovotarskyiSKPRPT10.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/NovotarskyiSKPT10,
  author       = {Sergii Novotarskyi and
                  Iurii Sushko and
                  Robert K{\"{o}}rner and
                  Anil Kumar Pandey and
                  Igor V. Tetko},
  title        = {Classification of {CYP450} 1A2 inhibitors using PubChem data},
  journal      = {J. Cheminformatics},
  volume       = {2},
  number       = {{S-1}},
  pages        = {40},
  year         = {2010},
  url          = {https://doi.org/10.1186/1758-2946-2-S1-P40},
  doi          = {10.1186/1758-2946-2-S1-P40},
  timestamp    = {Thu, 14 Feb 2019 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcheminf/NovotarskyiSKPT10.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/SushkoNPKT10,
  author       = {Iurii Sushko and
                  Sergii Novotarskyi and
                  Anil Kumar Pandey and
                  Robert K{\"{o}}rner and
                  Igor V. Tetko},
  title        = {Applicability domain for classification problems},
  journal      = {J. Cheminformatics},
  volume       = {2},
  number       = {{S-1}},
  pages        = {41},
  year         = {2010},
  url          = {https://doi.org/10.1186/1758-2946-2-S1-P41},
  doi          = {10.1186/1758-2946-2-S1-P41},
  timestamp    = {Thu, 14 Feb 2019 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcheminf/SushkoNPKT10.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/SushkoNKPCLGHSMXLYOHDSTPAKMYFMTBHMMVPT10,
  author       = {Iurii Sushko and
                  Sergii Novotarskyi and
                  Robert K{\"{o}}rner and
                  Anil Kumar Pandey and
                  Artem Cherkasov and
                  Jiazhong Li and
                  Paola Gramatica and
                  Katja Hansen and
                  Timon Schroeter and
                  Klaus{-}Robert M{\"{u}}ller and
                  Lili Xi and
                  Huanxiang Liu and
                  Xiaojun Yao and
                  Tomas {\"{O}}berg and
                  Farhad Hormozdiari and
                  Phuong Dao and
                  S{\"{u}}leyman Cenk Sahinalp and
                  Roberto Todeschini and
                  Pavel G. Polishchuk and
                  Anatoly G. Artemenko and
                  Victor Kuzmin and
                  Todd Martin and
                  Douglas M. Young and
                  Denis Fourches and
                  Eugene N. Muratov and
                  Alexander Tropsha and
                  Igor I. Baskin and
                  Dragos Horvath and
                  Gilles Marcou and
                  Christophe Muller and
                  Alexandre Varnek and
                  Volodymyr V. Prokopenko and
                  Igor V. Tetko},
  title        = {Applicability Domains for Classification Problems: Benchmarking of
                  Distance to Models for Ames Mutagenicity Set},
  journal      = {J. Chem. Inf. Model.},
  volume       = {50},
  number       = {12},
  pages        = {2094--2111},
  year         = {2010},
  url          = {https://doi.org/10.1021/ci100253r},
  doi          = {10.1021/CI100253R},
  timestamp    = {Sun, 02 Oct 2022 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/SushkoNKPCLGHSMXLYOHDSTPAKMYFMTBHMMVPT10.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/VarnekGMBPT09,
  author       = {Alexandre Varnek and
                  C{\'{e}}dric Gaudin and
                  Gilles Marcou and
                  Igor I. Baskin and
                  Anil Kumar Pandey and
                  Igor V. Tetko},
  title        = {Inductive Transfer of Knowledge: Application of Multi-Task Learning
                  and Feature Net Approaches to Model Tissue-Air Partition Coefficients},
  journal      = {J. Chem. Inf. Model.},
  volume       = {49},
  number       = {1},
  pages        = {133--144},
  year         = {2009},
  url          = {https://doi.org/10.1021/ci8002914},
  doi          = {10.1021/CI8002914},
  timestamp    = {Fri, 06 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/VarnekGMBPT09.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@incollection{DBLP:books/sp/09/Tetko09,
  author       = {Igor V. Tetko},
  editor       = {David J. Livingstone},
  title        = {Associative Neural Network},
  booktitle    = {Artificial Neural Networks},
  series       = {Methods in Molecular Biology},
  volume       = {458},
  pages        = {180--197},
  publisher    = {Springer},
  year         = {2009},
  url          = {https://doi.org/10.1007/978-1-60327-101-1\_10},
  doi          = {10.1007/978-1-60327-101-1\_10},
  timestamp    = {Wed, 16 Dec 2020 16:45:37 +0100},
  biburl       = {https://dblp.org/rec/books/sp/09/Tetko09.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/bioinformatics/TetkoRWRM08,
  author       = {Igor V. Tetko and
                  Igor V. Rodchenkov and
                  Mathias C. Walter and
                  Thomas Rattei and
                  Hans{-}Werner Mewes},
  title        = {Beyond the "best" match: machine learning annotation of
                  protein sequences by integration of different sources of information},
  journal      = {Bioinform.},
  volume       = {24},
  number       = {5},
  pages        = {621--628},
  year         = {2008},
  url          = {https://doi.org/10.1093/bioinformatics/btm633},
  doi          = {10.1093/BIOINFORMATICS/BTM633},
  timestamp    = {Mon, 02 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/bioinformatics/TetkoRWRM08.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/SurmeliRMT08,
  author       = {Dimitrij Surmeli and
                  Oliver Ratmann and
                  Hans{-}Werner Mewes and
                  Igor V. Tetko},
  title        = {FunCat functional inference with belief propagation and feature integration},
  journal      = {Comput. Biol. Chem.},
  volume       = {32},
  number       = {5},
  pages        = {375--377},
  year         = {2008},
  url          = {https://doi.org/10.1016/j.compbiolchem.2008.06.004},
  doi          = {10.1016/J.COMPBIOLCHEM.2008.06.004},
  timestamp    = {Fri, 13 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/candc/SurmeliRMT08.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/ZhuTFVPGODCT08,
  author       = {Hao Zhu and
                  Alexander Tropsha and
                  Denis Fourches and
                  Alexandre Varnek and
                  Ester Papa and
                  Paola Gramatica and
                  Tomas {\"{O}}berg and
                  Phuong Dao and
                  Artem Cherkasov and
                  Igor V. Tetko},
  title        = {Combinatorial {QSAR} Modeling of Chemical Toxicants Tested against
                  Tetrahymena pyriformis},
  journal      = {J. Chem. Inf. Model.},
  volume       = {48},
  number       = {4},
  pages        = {766--784},
  year         = {2008},
  url          = {https://doi.org/10.1021/ci700443v},
  doi          = {10.1021/CI700443V},
  timestamp    = {Fri, 10 Nov 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/ZhuTFVPGODCT08.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/TetkoSPZTPOTFV08,
  author       = {Igor V. Tetko and
                  Iurii Sushko and
                  Anil Kumar Pandey and
                  Hao Zhu and
                  Alexander Tropsha and
                  Ester Papa and
                  Tomas {\"{O}}berg and
                  Roberto Todeschini and
                  Denis Fourches and
                  Alexandre Varnek},
  title        = {Critical Assessment of {QSAR} Models of Environmental Toxicity against
                  \emph{Tetrahymena pyriformis: } Focusing on Applicability Domain and
                  Overfitting by Variable Selection},
  journal      = {J. Chem. Inf. Model.},
  volume       = {48},
  number       = {9},
  pages        = {1733--1746},
  year         = {2008},
  url          = {https://doi.org/10.1021/ci800151m},
  doi          = {10.1021/CI800151M},
  timestamp    = {Fri, 10 Nov 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/TetkoSPZTPOTFV08.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/VarnekKTBS07,
  author       = {Alexandre Varnek and
                  Natalia V. Kireeva and
                  Igor V. Tetko and
                  Igor I. Baskin and
                  Vitaly P. Solov'ev},
  title        = {Exhaustive {QSPR} Studies of a Large Diverse Set of Ionic Liquids:
                  How Accurately Can We Predict Melting Points?},
  journal      = {J. Chem. Inf. Model.},
  volume       = {47},
  number       = {3},
  pages        = {1111--1122},
  year         = {2007},
  url          = {https://doi.org/10.1021/ci600493x},
  doi          = {10.1021/CI600493X},
  timestamp    = {Wed, 25 Oct 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/VarnekKTBS07.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/TetkoSAYDFHFJLV06,
  author       = {Igor V. Tetko and
                  Vitaly P. Solov'ev and
                  Alexey V. Antonov and
                  Xiaojun Yao and
                  Jean{-}Pierre Doucet and
                  Bo Tao Fan and
                  Frank Hoonakker and
                  Denis Fourches and
                  Piere Jost and
                  Nicolas Lachiche and
                  Alexandre Varnek},
  title        = {Benchmarking of Linear and Nonlinear Approaches for Quantitative Structure-Property
                  Relationship Studies of Metal Complexation with Ionophores},
  journal      = {J. Chem. Inf. Model.},
  volume       = {46},
  number       = {2},
  pages        = {808--819},
  year         = {2006},
  url          = {https://doi.org/10.1021/ci0504216},
  doi          = {10.1021/CI0504216},
  timestamp    = {Wed, 07 Dec 2022 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/TetkoSAYDFHFJLV06.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/nar/RueppDOBDFFMSWRPRFSTOSM06,
  author       = {Andreas Ruepp and
                  Octave Noubibou Doudieu and
                  Jos van den Oever and
                  Barbara Brauner and
                  Irmtraud Dunger{-}Kaltenbach and
                  Gisela Fobo and
                  Goar Frishman and
                  Corinna Montrone and
                  Christine Skornia and
                  Steffi Wanka and
                  Thomas Rattei and
                  Philipp Pagel and
                  M. Louise Riley and
                  Dmitrij Frishman and
                  Dimitrij Surmeli and
                  Igor V. Tetko and
                  Matthias Oesterheld and
                  Volker St{\"{u}}mpflen and
                  Hans{-}Werner Mewes},
  title        = {The Mouse Functional Genome Database (MfunGD): functional annotation
                  of proteins in the light of their cellular context},
  journal      = {Nucleic Acids Res.},
  volume       = {34},
  number       = {Database-Issue},
  pages        = {568--571},
  year         = {2006},
  url          = {https://doi.org/10.1093/nar/gkj074},
  doi          = {10.1093/NAR/GKJ074},
  timestamp    = {Sun, 17 May 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/nar/RueppDOBDFFMSWRPRFSTOSM06.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/ploscb/TetkoHRMMM06,
  author       = {Igor V. Tetko and
                  Georg Haberer and
                  Stephen Rudd and
                  Blake C. Meyers and
                  Hans{-}Werner Mewes and
                  Klaus F. X. Mayer},
  title        = {Spatiotemporal Expression Control Correlates with Intragenic Scaffold
                  Matrix Attachment Regions (S/MARs) in \emph{Arabidopsis thaliana}},
  journal      = {PLoS Comput. Biol.},
  volume       = {2},
  number       = {3},
  year         = {2006},
  url          = {https://doi.org/10.1371/journal.pcbi.0020021},
  doi          = {10.1371/JOURNAL.PCBI.0020021},
  timestamp    = {Sun, 02 Oct 2022 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/ploscb/TetkoHRMMM06.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/ploscb/TetkoHRMMM06a,
  author       = {Igor V. Tetko and
                  Georg Haberer and
                  Stephen Rudd and
                  Blake C. Meyers and
                  Hans{-}Werner Mewes and
                  Klaus F. X. Mayer},
  title        = {Correction: Spatiotemporal Expression Control Correlates with Intragenic
                  Scaffold Matrix Attachment Regions (S/MARs) in \emph{Arabidopsis thaliana}},
  journal      = {PLoS Comput. Biol.},
  volume       = {2},
  number       = {6},
  year         = {2006},
  url          = {https://doi.org/10.1371/journal.pcbi.0020067},
  doi          = {10.1371/JOURNAL.PCBI.0020067},
  timestamp    = {Thu, 10 Sep 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/ploscb/TetkoHRMMM06a.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/bioinformatics/FriedelJSRMT05,
  author       = {Caroline C. Friedel and
                  Katharina H. V. Jahn and
                  Selina Sommer and
                  Stephen Rudd and
                  Hans{-}Werner Mewes and
                  Igor V. Tetko},
  title        = {Support vector machines for separation of mixed plant?Cpathogen {EST}
                  collections based on codon usage},
  journal      = {Bioinform.},
  volume       = {21},
  number       = {8},
  pages        = {1383--1388},
  year         = {2005},
  url          = {https://doi.org/10.1093/bioinformatics/bti200},
  doi          = {10.1093/BIOINFORMATICS/BTI200},
  timestamp    = {Sat, 30 May 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/bioinformatics/FriedelJSRMT05.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/bioinformatics/TetkoBDFMFRASM05,
  author       = {Igor V. Tetko and
                  Barbara Brauner and
                  Irmtraud Dunger{-}Kaltenbach and
                  Goar Frishman and
                  Corinna Montrone and
                  Gisela Fobo and
                  Andreas Ruepp and
                  Alexey V. Antonov and
                  Dimitrij Surmeli and
                  Hans{-}Werner Mewes},
  title        = {{MIPS} bacterial genomes functional annotation benchmark dataset},
  journal      = {Bioinform.},
  volume       = {21},
  number       = {10},
  pages        = {2520--2521},
  year         = {2005},
  url          = {https://doi.org/10.1093/bioinformatics/bti380},
  doi          = {10.1093/BIOINFORMATICS/BTI380},
  timestamp    = {Mon, 02 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/bioinformatics/TetkoBDFMFRASM05.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/bmcbi/TetkoFRM05,
  author       = {Igor V. Tetko and
                  Axel Facius and
                  Andreas Ruepp and
                  Hans{-}Werner Mewes},
  title        = {Super paramagnetic clustering of protein sequences},
  journal      = {{BMC} Bioinform.},
  volume       = {6},
  pages        = {82},
  year         = {2005},
  url          = {https://doi.org/10.1186/1471-2105-6-82},
  doi          = {10.1186/1471-2105-6-82},
  timestamp    = {Sun, 15 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/bmcbi/TetkoFRM05.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/WangTHFFMM05,
  author       = {Yu Wang and
                  Igor V. Tetko and
                  Mark A. Hall and
                  Eibe Frank and
                  Axel Facius and
                  Klaus F. X. Mayer and
                  Hans{-}Werner Mewes},
  title        = {Gene selection from microarray data for cancer classification - a
                  machine learning approach},
  journal      = {Comput. Biol. Chem.},
  volume       = {29},
  number       = {1},
  pages        = {37--46},
  year         = {2005},
  url          = {https://doi.org/10.1016/j.compbiolchem.2004.11.001},
  doi          = {10.1016/J.COMPBIOLCHEM.2004.11.001},
  timestamp    = {Fri, 13 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/candc/WangTHFFMM05.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/AntonovTKSM05,
  author       = {Alexey V. Antonov and
                  Igor V. Tetko and
                  Denis Kosykh and
                  Dimitrij Surmeli and
                  Hans{-}Werner Mewes},
  title        = {Exploiting scale-free information from expression data for cancer
                  classification},
  journal      = {Comput. Biol. Chem.},
  volume       = {29},
  number       = {4},
  pages        = {288--293},
  year         = {2005},
  url          = {https://doi.org/10.1016/j.compbiolchem.2005.06.004},
  doi          = {10.1016/J.COMPBIOLCHEM.2005.06.004},
  timestamp    = {Fri, 13 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/candc/AntonovTKSM05.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/TetkoGTMLEPRZMTP05,
  author       = {Igor V. Tetko and
                  Johann Gasteiger and
                  Roberto Todeschini and
                  Andrea Mauri and
                  David J. Livingstone and
                  Peter Ertl and
                  Vladimir A. Palyulin and
                  Eugene V. Radchenko and
                  Nikolai S. Zefirov and
                  Alexander S. Makarenko and
                  Vsevolod Yu. Tanchuk and
                  Volodymyr V. Prokopenko},
  title        = {Virtual Computational Chemistry Laboratory - Design and Description},
  journal      = {J. Comput. Aided Mol. Des.},
  volume       = {19},
  number       = {6},
  pages        = {453--463},
  year         = {2005},
  url          = {https://doi.org/10.1007/s10822-005-8694-y},
  doi          = {10.1007/S10822-005-8694-Y},
  timestamp    = {Thu, 16 Apr 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcamd/TetkoGTMLEPRZMTP05.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/TetkoAO05,
  author       = {Igor V. Tetko and
                  Ruben Abagyan and
                  Tudor I. Oprea},
  title        = {Surrogate data - a secure way to share corporate data},
  journal      = {J. Comput. Aided Mol. Des.},
  volume       = {19},
  number       = {9-10},
  pages        = {749--764},
  year         = {2005},
  url          = {https://doi.org/10.1007/s10822-005-9013-3},
  doi          = {10.1007/S10822-005-9013-3},
  timestamp    = {Thu, 16 Apr 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcamd/TetkoAO05.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/nar/RuddT05,
  author       = {Stephen Rudd and
                  Igor V. Tetko},
  title        = {{\'{E}}clair - a web service for unravelling species origin of
                  sequences sampled from mixed host interfaces},
  journal      = {Nucleic Acids Res.},
  volume       = {33},
  number       = {Web-Server-Issue},
  pages        = {724--727},
  year         = {2005},
  url          = {https://doi.org/10.1093/nar/gki434},
  doi          = {10.1093/NAR/GKI434},
  timestamp    = {Sun, 17 May 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/nar/RuddT05.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/gcb/AntonovTKSM05,
  author       = {Alexey V. Antonov and
                  Igor V. Tetko and
                  Denis Kosykh and
                  Dimitrij Surmeli and
                  Hans{-}Werner Mewes},
  editor       = {Andrew E. Torda and
                  Stefan Kurtz and
                  Matthias Rarey},
  title        = {Exploiting scale-free information from expression data for cancer
                  classification},
  booktitle    = {Proceedings of the German Conference on Bioinformatics {(GCB} 2005),
                  Hamburg, Germany, October 5-7, 2005},
  series       = {{LNI}},
  volume       = {{P-71}},
  pages        = {93--102},
  publisher    = {{GI}},
  year         = {2005},
  url          = {https://dl.gi.de/handle/20.500.12116/24922},
  timestamp    = {Tue, 04 Jul 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/conf/gcb/AntonovTKSM05.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/bioinformatics/AntonovTMBM04,
  author       = {Alexey V. Antonov and
                  Igor V. Tetko and
                  Michael T. Mader and
                  Jan Budczies and
                  Hans{-}Werner Mewes},
  title        = {Optimization models for cancer classification: extracting gene interaction
                  information from microarray expression data},
  journal      = {Bioinform.},
  volume       = {20},
  number       = {5},
  pages        = {644--652},
  year         = {2004},
  url          = {https://doi.org/10.1093/bioinformatics/btg462},
  doi          = {10.1093/BIOINFORMATICS/BTG462},
  timestamp    = {Sat, 30 Sep 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/bioinformatics/AntonovTMBM04.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/bioinformatics/AntonovTPKM04,
  author       = {Alexey V. Antonov and
                  Igor V. Tetko and
                  Volodymyr V. Prokopenko and
                  Denis Kosykh and
                  Hans{-}Werner Mewes},
  title        = {A web portal for classification of expression data using maximal margin
                  linear programming},
  journal      = {Bioinform.},
  volume       = {20},
  number       = {17},
  pages        = {3284--3285},
  year         = {2004},
  url          = {https://doi.org/10.1093/bioinformatics/bth376},
  doi          = {10.1093/BIOINFORMATICS/BTH376},
  timestamp    = {Mon, 02 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/bioinformatics/AntonovTPKM04.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/gcb/AntonovTMBM03,
  author       = {Alexey V. Antonov and
                  Igor V. Tetko and
                  Michael T. Mader and
                  Jan Budczies and
                  Hans{-}Werner Mewes},
  title        = {Exploiting gene interaction information from microarray expression
                  data for cancer classification},
  booktitle    = {Proceedings of the German Conference on Bioinformatics, {GCB} 2003,
                  October 12-14, 2003, Neuherberg/Garching near Munich, Germany},
  pages        = {9--14},
  year         = {2003},
  timestamp    = {Tue, 15 Mar 2005 13:11:15 +0100},
  biburl       = {https://dblp.org/rec/conf/gcb/AntonovTMBM03.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/Tetko02,
  author       = {Igor V. Tetko},
  title        = {Neural Network Studies, 4. Introduction to Associative Neural Networks},
  journal      = {J. Chem. Inf. Comput. Sci.},
  volume       = {42},
  number       = {3},
  pages        = {717--728},
  year         = {2002},
  url          = {https://doi.org/10.1021/ci010379o},
  doi          = {10.1021/CI010379O},
  timestamp    = {Thu, 14 May 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/Tetko02.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/TetkoT02,
  author       = {Igor V. Tetko and
                  Vsevolod Yu. Tanchuk},
  title        = {Application of Associative Neural Networks for Prediction of Lipophilicity
                  in {ALOGPS} 2.1 Program},
  journal      = {J. Chem. Inf. Comput. Sci.},
  volume       = {42},
  number       = {5},
  pages        = {1136--1145},
  year         = {2002},
  url          = {https://doi.org/10.1021/ci025515j},
  doi          = {10.1021/CI025515J},
  timestamp    = {Thu, 14 May 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/TetkoT02.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/npl/Tetko02,
  author       = {Igor V. Tetko},
  title        = {Associative Neural Network},
  journal      = {Neural Process. Lett.},
  volume       = {16},
  number       = {2},
  pages        = {187--199},
  year         = {2002},
  url          = {https://doi.org/10.1023/A:1019903710291},
  doi          = {10.1023/A:1019903710291},
  timestamp    = {Thu, 09 Jul 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/npl/Tetko02.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/ijon/VillaTI01,
  author       = {Alessandro E. P. Villa and
                  Igor V. Tetko and
                  Javier Iglesias},
  title        = {Computer assisted neurophysiological analysis of cell assemblies activity},
  journal      = {Neurocomputing},
  volume       = {38-40},
  pages        = {1025--1030},
  year         = {2001},
  url          = {https://doi.org/10.1016/S0925-2312(01)00379-4},
  doi          = {10.1016/S0925-2312(01)00379-4},
  timestamp    = {Wed, 14 Nov 2018 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/ijon/VillaTI01.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/ijon/TetkoV01,
  author       = {Igor V. Tetko and
                  Alessandro E. P. Villa},
  title        = {Pattern grouping algorithm and de-convolution filtering of non-stationary
                  correlated Poisson processes},
  journal      = {Neurocomputing},
  volume       = {38-40},
  pages        = {1709--1714},
  year         = {2001},
  url          = {https://doi.org/10.1016/S0925-2312(01)00536-7},
  doi          = {10.1016/S0925-2312(01)00536-7},
  timestamp    = {Wed, 14 Nov 2018 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/ijon/TetkoV01.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/TetkoTKV01,
  author       = {Igor V. Tetko and
                  Vsevolod Yu. Tanchuk and
                  Tamara N. Kasheva and
                  Alessandro E. P. Villa},
  title        = {Internet Software for the Calculation of the Lipophilicity and Aqueous
                  Solubility of Chemical Compounds},
  journal      = {J. Chem. Inf. Comput. Sci.},
  volume       = {41},
  number       = {2},
  pages        = {246--252},
  year         = {2001},
  url          = {https://doi.org/10.1021/ci000393l},
  doi          = {10.1021/CI000393L},
  timestamp    = {Thu, 14 May 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/TetkoTKV01.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/TetkoTV01,
  author       = {Igor V. Tetko and
                  Vsevolod Yu. Tanchuk and
                  Alessandro E. P. Villa},
  title        = {Prediction of n-Octanol/Water Partition Coefficients from {PHYSPROP}
                  Database Using Artificial Neural Networks and E-State Indices},
  journal      = {J. Chem. Inf. Comput. Sci.},
  volume       = {41},
  number       = {5},
  pages        = {1407--1421},
  year         = {2001},
  url          = {https://doi.org/10.1021/ci010368v},
  doi          = {10.1021/CI010368V},
  timestamp    = {Thu, 14 May 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/TetkoTV01.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/TetkoTKV01a,
  author       = {Igor V. Tetko and
                  Vsevolod Yu. Tanchuk and
                  Tamara N. Kasheva and
                  Alessandro E. P. Villa},
  title        = {Estimation of Aqueous Solubility of Chemical Compounds Using E-State
                  Indices},
  journal      = {J. Chem. Inf. Comput. Sci.},
  volume       = {41},
  number       = {6},
  pages        = {1488--1493},
  year         = {2001},
  url          = {https://doi.org/10.1021/ci000392t},
  doi          = {10.1021/CI000392T},
  timestamp    = {Thu, 14 May 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/TetkoTKV01a.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/HuuskonenLT00,
  author       = {Jarmo J. Huuskonen and
                  David J. Livingstone and
                  Igor V. Tetko},
  title        = {Neural Network Modeling for Estimation of Partition Coefficient Based
                  on Atom-Type Electrotopological State Indices},
  journal      = {J. Chem. Inf. Comput. Sci.},
  volume       = {40},
  number       = {4},
  pages        = {947--955},
  year         = {2000},
  url          = {https://doi.org/10.1021/ci9904261},
  doi          = {10.1021/CI9904261},
  timestamp    = {Thu, 14 May 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/HuuskonenLT00.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KovalishynTLKVL98,
  author       = {Vasyl V. Kovalishyn and
                  Igor V. Tetko and
                  Alexander I. Luik and
                  Vladyslav V. Kholodovych and
                  Alessandro E. P. Villa and
                  David J. Livingstone},
  title        = {Neural Network Studies. 3. Variable Selection in the Cascade-Correlation
                  Learning Architecture},
  journal      = {J. Chem. Inf. Comput. Sci.},
  volume       = {38},
  number       = {4},
  pages        = {651--659},
  year         = {1998},
  url          = {https://doi.org/10.1021/ci980325n},
  doi          = {10.1021/CI980325N},
  timestamp    = {Thu, 14 May 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/KovalishynTLKVL98.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/TetkoVAZBCW98,
  author       = {Igor V. Tetko and
                  Alessandro E. P. Villa and
                  Tatyana I. Aksenova and
                  Walter L. Zielinski and
                  James Brower and
                  Elizabeth R. Collantes and
                  William J. Welsh},
  title        = {Application of a Pruning Algorithm To Optimize Artificial Neural Networks
                  for Pharmaceutical Fingerprinting},
  journal      = {J. Chem. Inf. Comput. Sci.},
  volume       = {38},
  number       = {4},
  pages        = {660--668},
  year         = {1998},
  url          = {https://doi.org/10.1021/ci970439j},
  doi          = {10.1021/CI970439J},
  timestamp    = {Thu, 14 May 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/TetkoVAZBCW98.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/hcc/JeandenansGGTV98,
  author       = {Luc Jeandenans and
                  Michel Gautero and
                  Fran{\c{c}}ois Grize and
                  Igor V. Tetko and
                  Alessandro E. P. Villa},
  editor       = {Leif Bloch Rasmussen and
                  Colin Beardon and
                  Silvio Munari},
  title        = {Computer assisted neurophysiology by a distributed {JAVA} program},
  booktitle    = {Computers and Networks in the Age of Globalization, {IFIP} {TC9} World
                  Conference on Human Choice and Computers, August 25-28, 1998, Geneva,
                  Switzerland},
  series       = {{IFIP} Conference Proceedings},
  volume       = {185},
  pages        = {261--272},
  publisher    = {Kluwer},
  year         = {1998},
  timestamp    = {Thu, 29 Aug 2002 16:09:53 +0200},
  biburl       = {https://dblp.org/rec/conf/hcc/JeandenansGGTV98.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/bc/TetkoV97,
  author       = {Igor V. Tetko and
                  Alessandro E. P. Villa},
  title        = {Fast combinatorial methods to estimate the probability of complex
                  temporal patterns of spikes},
  journal      = {Biol. Cybern.},
  volume       = {76},
  number       = {5},
  pages        = {397--408},
  year         = {1997},
  url          = {https://doi.org/10.1007/s004220050353},
  doi          = {10.1007/S004220050353},
  timestamp    = {Thu, 17 Sep 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/bc/TetkoV97.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/LivingstoneMT97,
  author       = {David J. Livingstone and
                  David T. Manallack and
                  Igor V. Tetko},
  title        = {Data modelling with neural networks: Advantages and limitations},
  journal      = {J. Comput. Aided Mol. Des.},
  volume       = {11},
  number       = {2},
  pages        = {135--142},
  year         = {1997},
  url          = {https://doi.org/10.1023/A:1008074223811},
  doi          = {10.1023/A:1008074223811},
  timestamp    = {Thu, 16 Apr 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcamd/LivingstoneMT97.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/nn/TetkoV97,
  author       = {Igor V. Tetko and
                  Alessandro E. P. Villa},
  title        = {Efficient Partition of Learning Data Sets for Neural Network Training},
  journal      = {Neural Networks},
  volume       = {10},
  number       = {8},
  pages        = {1361--1374},
  year         = {1997},
  url          = {https://doi.org/10.1016/S0893-6080(97)00005-1},
  doi          = {10.1016/S0893-6080(97)00005-1},
  timestamp    = {Wed, 14 Nov 2018 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/nn/TetkoV97.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/npl/TetkoV97,
  author       = {Igor V. Tetko and
                  Alessandro E. P. Villa},
  title        = {An Enhancement of Generalization Ability in Cascade Correlation Algorithm
                  by Avoidance of Overfitting/Overtraining Problem},
  journal      = {Neural Process. Lett.},
  volume       = {6},
  number       = {1-2},
  pages        = {43--50},
  year         = {1997},
  url          = {https://doi.org/10.1023/A:1009610808553},
  doi          = {10.1023/A:1009610808553},
  timestamp    = {Thu, 09 Jul 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/npl/TetkoV97.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/npl/TetkoV97a,
  author       = {Igor V. Tetko and
                  Alessandro E. P. Villa},
  title        = {An Efficient Partition of Training Data Set Improves Speed and Accuracy
                  of Cascade-correlation Algorithm},
  journal      = {Neural Process. Lett.},
  volume       = {6},
  number       = {1-2},
  pages        = {51--59},
  year         = {1997},
  url          = {https://doi.org/10.1023/A:1009619010371},
  doi          = {10.1023/A:1009619010371},
  timestamp    = {Thu, 09 Jul 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/npl/TetkoV97a.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/icann/TetkoV97,
  author       = {Igor V. Tetko and
                  Alessandro E. P. Villa},
  editor       = {Wulfram Gerstner and
                  Alain Germond and
                  Martin Hasler and
                  Jean{-}Daniel Nicoud},
  title        = {A Comparative Study of Pattern Detection Algorithm and Dynamical System
                  Approach Using Simulated Spike Trains},
  booktitle    = {Artificial Neural Networks - {ICANN} '97, 7th International Conference,
                  Lausanne, Switzerland, October 8-10, 1997, Proceedings},
  series       = {Lecture Notes in Computer Science},
  volume       = {1327},
  pages        = {37--42},
  publisher    = {Springer},
  year         = {1997},
  url          = {https://doi.org/10.1007/BFb0020129},
  doi          = {10.1007/BFB0020129},
  timestamp    = {Tue, 14 May 2019 10:00:49 +0200},
  biburl       = {https://dblp.org/rec/conf/icann/TetkoV97.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/TetkoVL96,
  author       = {Igor V. Tetko and
                  Alessandro E. P. Villa and
                  David J. Livingstone},
  title        = {Neural Network Studies, 2. Variable Selection},
  journal      = {J. Chem. Inf. Comput. Sci.},
  volume       = {36},
  number       = {4},
  pages        = {794--803},
  year         = {1996},
  url          = {https://doi.org/10.1021/ci950204c},
  doi          = {10.1021/CI950204C},
  timestamp    = {Thu, 14 May 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/TetkoVL96.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/TetkoLL95,
  author       = {Igor V. Tetko and
                  David J. Livingstone and
                  Alexander I. Luik},
  title        = {Neural network studies, 1. Comparison of overfitting and overtraining},
  journal      = {J. Chem. Inf. Comput. Sci.},
  volume       = {35},
  number       = {5},
  pages        = {826--833},
  year         = {1995},
  url          = {https://doi.org/10.1021/ci00027a006},
  doi          = {10.1021/CI00027A006},
  timestamp    = {Thu, 14 May 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/TetkoLL95.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/cbms/TetkoTL94,
  author       = {Igor V. Tetko and
                  Vsevolod Yu. Tanchuk and
                  Alexander I. Luik},
  title        = {Evaluation of potential {HIV-1} reverse transcriptase inhibitors by
                  artificial neural networks},
  booktitle    = {Seventh Annual {IEEE} Symposium on Computer-Based Medical Systems
                  (CBMS'94), June 10-12, 1994, Winston-Salem, NC, {USA}},
  pages        = {311--316},
  publisher    = {{IEEE} Computer Society},
  year         = {1994},
  url          = {https://doi.org/10.1109/CBMS.1994.316023},
  doi          = {10.1109/CBMS.1994.316023},
  timestamp    = {Wed, 16 Oct 2019 14:14:49 +0200},
  biburl       = {https://dblp.org/rec/conf/cbms/TetkoTL94.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/esann/TetkoL94,
  author       = {Igor V. Tetko and
                  Alexander I. Luik},
  title        = {Input Parameters' estimation via neural networks},
  booktitle    = {2nd European Symposium on Artificial Neural Networks, {ESANN} 1994,
                  Brussels, Belgium, April 20-22, 1994, Proceedings},
  year         = {1994},
  url          = {https://www.esann.org/sites/default/files/proceedings/legacy/es1994-507-S.pdf},
  timestamp    = {Tue, 02 Aug 2022 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/conf/esann/TetkoL94.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}