BibTeX records: Denis Fourches

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@article{DBLP:journals/jcisd/LiF21,
  author       = {Xinhao Li and
                  Denis Fourches},
  title        = {{SMILES} Pair Encoding: {A} Data-Driven Substructure Tokenization
                  Algorithm for Deep Learning},
  journal      = {J. Chem. Inf. Model.},
  volume       = {61},
  number       = {4},
  pages        = {1560--1569},
  year         = {2021},
  url          = {https://doi.org/10.1021/acs.jcim.0c01127},
  doi          = {10.1021/ACS.JCIM.0C01127},
  timestamp    = {Mon, 28 Aug 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/LiF21.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcheminf/ZinWF20,
  author       = {Phyo Phyo Kyaw Zin and
                  Gavin Williams and
                  Denis Fourches},
  title        = {{SIME:} synthetic insight-based macrolide enumerator to generate the
                  {V1B} library of 1 billion macrolides},
  journal      = {J. Cheminformatics},
  volume       = {12},
  number       = {1},
  pages        = {23},
  year         = {2020},
  url          = {https://doi.org/10.1186/s13321-020-00427-6},
  doi          = {10.1186/S13321-020-00427-6},
  timestamp    = {Sun, 02 Oct 2022 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcheminf/ZinWF20.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcheminf/LiF20,
  author       = {Xinhao Li and
                  Denis Fourches},
  title        = {Inductive transfer learning for molecular activity prediction: Next-Gen
                  {QSAR} Models with MolPMoFiT},
  journal      = {J. Cheminformatics},
  volume       = {12},
  number       = {1},
  pages        = {27},
  year         = {2020},
  url          = {https://doi.org/10.1186/s13321-020-00430-x},
  doi          = {10.1186/S13321-020-00430-X},
  timestamp    = {Tue, 16 Aug 2022 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcheminf/LiF20.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcisd/ZinBF20,
  author       = {Phyo Phyo Kyaw Zin and
                  Alexandre Borrel and
                  Denis Fourches},
  title        = {Benchmarking 2D/3D/MD-QSAR Models for Imatinib Derivatives: How Far
                  Can We Predict?},
  journal      = {J. Chem. Inf. Model.},
  volume       = {60},
  number       = {7},
  pages        = {3342--3360},
  year         = {2020},
  url          = {https://doi.org/10.1021/acs.jcim.0c00200},
  doi          = {10.1021/ACS.JCIM.0C00200},
  timestamp    = {Sun, 02 Oct 2022 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/ZinBF20.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcheminf/AshKRMF19,
  author       = {Jeremy R. Ash and
                  M{\'{e}}laine A. Kuenemann and
                  Daniel M. Rotroff and
                  Alison A. Motsinger{-}Reif and
                  Denis Fourches},
  title        = {Cheminformatics approach to exploring and modeling trait-associated
                  metabolite profiles},
  journal      = {J. Cheminformatics},
  volume       = {11},
  number       = {1},
  pages        = {43:1--43:15},
  year         = {2019},
  url          = {https://doi.org/10.1186/s13321-019-0366-3},
  doi          = {10.1186/S13321-019-0366-3},
  timestamp    = {Sun, 25 Jul 2021 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcheminf/AshKRMF19.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/ploscb/WestLRKCWWBMFT19,
  author       = {Rachel Marceau West and
                  Wenbin Lu and
                  Daniel M. Rotroff and
                  M{\'{e}}laine A. Kuenemann and
                  Sheng{-}Mao Chang and
                  Michael C. Wu and
                  Michael J. Wagner and
                  John B. Buse and
                  Alison A. Motsinger{-}Reif and
                  Denis Fourches and
                  Jung{-}Ying Tzeng},
  title        = {Identifying individual risk rare variants using protein structure
                  guided local tests {(POINT)}},
  journal      = {PLoS Comput. Biol.},
  volume       = {15},
  number       = {2},
  year         = {2019},
  url          = {https://doi.org/10.1371/journal.pcbi.1006722},
  doi          = {10.1371/JOURNAL.PCBI.1006722},
  timestamp    = {Sat, 30 Sep 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/ploscb/WestLRKCWWBMFT19.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/bioinformatics/BorrelKF18,
  author       = {Alexandre Borrel and
                  Nicole C. Kleinstreuer and
                  Denis Fourches},
  title        = {Exploring drug space with ChemMaps.com},
  journal      = {Bioinform.},
  volume       = {34},
  number       = {21},
  pages        = {3773--3775},
  year         = {2018},
  url          = {https://doi.org/10.1093/bioinformatics/bty412},
  doi          = {10.1093/BIOINFORMATICS/BTY412},
  timestamp    = {Tue, 29 Dec 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/bioinformatics/BorrelKF18.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcheminf/DriesscheF18,
  author       = {George van den Driessche and
                  Denis Fourches},
  title        = {Adverse drug reactions triggered by the common HLA-B*57: 01 variant:
                  virtual screening of DrugBank using 3D molecular docking},
  journal      = {J. Cheminformatics},
  volume       = {10},
  number       = {1},
  pages        = {3:1--3:24},
  year         = {2018},
  url          = {https://doi.org/10.1186/s13321-018-0257-z},
  doi          = {10.1186/S13321-018-0257-Z},
  timestamp    = {Mon, 27 Sep 2021 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcheminf/DriesscheF18.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcheminf/ZinWF18,
  author       = {Phyo Phyo Kyaw Zin and
                  Gavin Williams and
                  Denis Fourches},
  title        = {Cheminformatics-based enumeration and analysis of large libraries
                  of macrolide scaffolds},
  journal      = {J. Cheminformatics},
  volume       = {10},
  number       = {1},
  pages        = {53:1--53:20},
  year         = {2018},
  url          = {https://doi.org/10.1186/s13321-018-0307-6},
  doi          = {10.1186/S13321-018-0307-6},
  timestamp    = {Sun, 02 Oct 2022 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcheminf/ZinWF18.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcisd/LowAFSAMRT18,
  author       = {Yen S. Low and
                  Vinicius M. Alves and
                  Denis Fourches and
                  Alexander Sedykh and
                  Carolina Horta Andrade and
                  Eugene N. Muratov and
                  Ivan Rusyn and
                  Alexander Tropsha},
  title        = {Chemistry-Wide Association Studies {(CWAS):} {A} Novel Framework for
                  Identifying and Interpreting Structure-Activity Relationships},
  journal      = {J. Chem. Inf. Model.},
  volume       = {58},
  number       = {11},
  pages        = {2203--2213},
  year         = {2018},
  url          = {https://doi.org/10.1021/acs.jcim.8b00450},
  doi          = {10.1021/ACS.JCIM.8B00450},
  timestamp    = {Thu, 14 Oct 2021 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/LowAFSAMRT18.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/bioinformatics/BorrelF17,
  author       = {Alexandre Borrel and
                  Denis Fourches},
  title        = {RealityConvert: a tool for preparing 3D models of biochemical structures
                  for augmented and virtual reality},
  journal      = {Bioinform.},
  volume       = {33},
  number       = {23},
  pages        = {3816--3818},
  year         = {2017},
  url          = {https://doi.org/10.1093/bioinformatics/btx485},
  doi          = {10.1093/BIOINFORMATICS/BTX485},
  timestamp    = {Mon, 02 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/bioinformatics/BorrelF17.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcheminf/DriesscheF17,
  author       = {George van den Driessche and
                  Denis Fourches},
  title        = {Adverse drug reactions triggered by the common HLA-B*57: 01 variant:
                  a molecular docking study},
  journal      = {J. Cheminformatics},
  volume       = {9},
  number       = {1},
  pages        = {13:1--13:17},
  year         = {2017},
  url          = {https://doi.org/10.1186/s13321-017-0202-6},
  doi          = {10.1186/S13321-017-0202-6},
  timestamp    = {Mon, 27 Sep 2021 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcheminf/DriesscheF17.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcisd/AshF17,
  author       = {Jeremy R. Ash and
                  Denis Fourches},
  title        = {Characterizing the Chemical Space of {ERK2} Kinase Inhibitors Using
                  Descriptors Computed from Molecular Dynamics Trajectories},
  journal      = {J. Chem. Inf. Model.},
  volume       = {57},
  number       = {6},
  pages        = {1286--1299},
  year         = {2017},
  url          = {https://doi.org/10.1021/acs.jcim.7b00048},
  doi          = {10.1021/ACS.JCIM.7B00048},
  timestamp    = {Mon, 28 Aug 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/AshF17.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jamia/LowCBFZNRET16,
  author       = {Yen S. Low and
                  Ola Caster and
                  Tomas Bergvall and
                  Denis Fourches and
                  Xiaoling Zang and
                  G. Niklas Nor{\'{e}}n and
                  Ivan Rusyn and
                  I. Ralph Edwards and
                  Alexander Tropsha},
  title        = {Cheminformatics-aided pharmacovigilance: application to Stevens-Johnson
                  Syndrome},
  journal      = {J. Am. Medical Informatics Assoc.},
  volume       = {23},
  number       = {5},
  pages        = {968--978},
  year         = {2016},
  url          = {https://doi.org/10.1093/jamia/ocv127},
  doi          = {10.1093/JAMIA/OCV127},
  timestamp    = {Thu, 14 Oct 2021 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jamia/LowCBFZNRET16.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcisd/FourchesMT16,
  author       = {Denis Fourches and
                  Eugene N. Muratov and
                  Alexander Tropsha},
  title        = {Trust, but Verify {II:} {A} Practical Guide to Chemogenomics Data
                  Curation},
  journal      = {J. Chem. Inf. Model.},
  volume       = {56},
  number       = {7},
  pages        = {1243--1252},
  year         = {2016},
  url          = {https://doi.org/10.1021/acs.jcim.6b00129},
  doi          = {10.1021/ACS.JCIM.6B00129},
  timestamp    = {Fri, 06 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/FourchesMT16.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcisd/FourchesPT15,
  author       = {Denis Fourches and
                  Regina Politi and
                  Alexander Tropsha},
  title        = {Target-Specific Native/Decoy Pose Classifier Improves the Accuracy
                  of Ligand Ranking in the {CSAR} 2013 Benchmark},
  journal      = {J. Chem. Inf. Model.},
  volume       = {55},
  number       = {1},
  pages        = {63--71},
  year         = {2015},
  url          = {https://doi.org/10.1021/ci500519w},
  doi          = {10.1021/CI500519W},
  timestamp    = {Fri, 06 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/FourchesPT15.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/bioinformatics/FourchesSRT14,
  author       = {Denis Fourches and
                  Maria F. Sassano and
                  Bryan L. Roth and
                  Alexander Tropsha},
  title        = {{HTS} navigator: freely accessible cheminformatics software for analyzing
                  high-throughput screening data},
  journal      = {Bioinform.},
  volume       = {30},
  number       = {4},
  pages        = {588--589},
  year         = {2014},
  url          = {https://doi.org/10.1093/bioinformatics/btt718},
  doi          = {10.1093/BIOINFORMATICS/BTT718},
  timestamp    = {Mon, 02 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/bioinformatics/FourchesSRT14.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcheminf/FourchesT14,
  author       = {Denis Fourches and
                  Alexander Tropsha},
  title        = {Fishing out the signal in polypharmacological high-throughput screening
                  data using novel navigator cheminformatics software},
  journal      = {J. Cheminformatics},
  volume       = {6},
  number       = {{S-1}},
  pages        = {14},
  year         = {2014},
  url          = {https://doi.org/10.1186/1758-2946-6-S1-P14},
  doi          = {10.1186/1758-2946-6-S1-P14},
  timestamp    = {Wed, 14 Nov 2018 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcheminf/FourchesT14.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcheminf/LowSFT14,
  author       = {Yen S. Low and
                  Alexander Sedykh and
                  Denis Fourches and
                  Alexander Tropsha},
  title        = {Chemistry-wide association studies {(CWAS)} to determine joint toxicity
                  effects of co-occurring chemical features},
  journal      = {J. Cheminformatics},
  volume       = {6},
  number       = {{S-1}},
  pages        = {15},
  year         = {2014},
  url          = {https://doi.org/10.1186/1758-2946-6-S1-P15},
  doi          = {10.1186/1758-2946-6-S1-P15},
  timestamp    = {Mon, 28 Dec 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcheminf/LowSFT14.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcisd/GolbraikhMFT14,
  author       = {Alexander Golbraikh and
                  Eugene N. Muratov and
                  Denis Fourches and
                  Alexander Tropsha},
  title        = {Data Set Modelability by {QSAR}},
  journal      = {J. Chem. Inf. Model.},
  volume       = {54},
  number       = {1},
  pages        = {1--4},
  year         = {2014},
  url          = {https://doi.org/10.1021/ci400572x},
  doi          = {10.1021/CI400572X},
  timestamp    = {Fri, 06 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/GolbraikhMFT14.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcisd/ZhangFSZGECCSHGGT13,
  author       = {Liying Zhang and
                  Denis Fourches and
                  Alexander Sedykh and
                  Hao Zhu and
                  Alexander Golbraikh and
                  Sean Ekins and
                  Julie Clark and
                  Michele C. Connelly and
                  Martina Sigal and
                  Dena Hodges and
                  Armand Guiguemde and
                  R. Kiplin Guy and
                  Alexander Tropsha},
  title        = {Discovery of Novel Antimalarial Compounds Enabled by QSAR-Based Virtual
                  Screening},
  journal      = {J. Chem. Inf. Model.},
  volume       = {53},
  number       = {2},
  pages        = {475--492},
  year         = {2013},
  url          = {https://doi.org/10.1021/ci300421n},
  doi          = {10.1021/CI300421N},
  timestamp    = {Fri, 10 Nov 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/ZhangFSZGECCSHGGT13.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcisd/FourchesMDDT13,
  author       = {Denis Fourches and
                  Eugene N. Muratov and
                  Feng Ding and
                  Nikolay V. Dokholyan and
                  Alexander Tropsha},
  title        = {Predicting Binding Affinity of {CSAR} Ligands Using Both Structure-Based
                  and Ligand-Based Approaches},
  journal      = {J. Chem. Inf. Model.},
  volume       = {53},
  number       = {8},
  pages        = {1915--1922},
  year         = {2013},
  url          = {https://doi.org/10.1021/ci400216q},
  doi          = {10.1021/CI400216Q},
  timestamp    = {Fri, 06 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/FourchesMDDT13.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcisd/FourchesMT10,
  author       = {Denis Fourches and
                  Eugene N. Muratov and
                  Alexander Tropsha},
  title        = {Trust, But Verify: On the Importance of Chemical Structure Curation
                  in Cheminformatics and {QSAR} Modeling Research},
  journal      = {J. Chem. Inf. Model.},
  volume       = {50},
  number       = {7},
  pages        = {1189--1204},
  year         = {2010},
  url          = {https://doi.org/10.1021/ci100176x},
  doi          = {10.1021/CI100176X},
  timestamp    = {Fri, 06 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/FourchesMT10.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/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/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/jcamd/VarnekFHS05,
  author       = {Alexandre Varnek and
                  Denis Fourches and
                  Frank Hoonakker and
                  Vitaly P. Solov'ev},
  title        = {Substructural fragments: an universal language to encode reactions,
                  molecular and supramolecular structures},
  journal      = {J. Comput. Aided Mol. Des.},
  volume       = {19},
  number       = {9-10},
  pages        = {693--703},
  year         = {2005},
  url          = {https://doi.org/10.1007/s10822-005-9008-0},
  doi          = {10.1007/S10822-005-9008-0},
  timestamp    = {Thu, 16 Apr 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcamd/VarnekFHS05.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcisd/VarnekFSBTKFK04,
  author       = {Alexandre Varnek and
                  Denis Fourches and
                  Vitaly P. Solov'ev and
                  Vladimir E. Baulin and
                  Alexander N. Turanov and
                  Vasili K. Karandashev and
                  Dan C. Fara and
                  Alan R. Katritzky},
  title        = {"In Silico" Design of New Uranyl Extractants Based on Phosphoryl-Containing
                  Podands: {QSPR} Studies, Generation and Screening of Virtual Combinatorial
                  Library, and Experimental Tests},
  journal      = {J. Chem. Inf. Model.},
  volume       = {44},
  number       = {4},
  pages        = {1365--1382},
  year         = {2004},
  url          = {https://doi.org/10.1021/ci049976b},
  doi          = {10.1021/CI049976B},
  timestamp    = {Fri, 06 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/VarnekFSBTKFK04.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
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