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BibTeX records: Igor V. Tetko
@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} }
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