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ORCIDDenis Fourches
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- affiliation: North Carolina State University, Department of Chemistry, Raleigh, NC, USA
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Journal Articles
- 2021
[j29]Xinhao Li
, Denis Fourches:
SMILES Pair Encoding: A Data-Driven Substructure Tokenization Algorithm for Deep Learning. J. Chem. Inf. Model. 61(4): 1560-1569 (2021)- 2020
- [j28]Phyo Phyo Kyaw Zin, Gavin Williams, Denis Fourches:
SIME: synthetic insight-based macrolide enumerator to generate the V1B library of 1 billion macrolides. J. Cheminformatics 12(1): 23 (2020) - [j27]Xinhao Li, Denis Fourches:
Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiT. J. Cheminformatics 12(1): 27 (2020) - [j26]Phyo Phyo Kyaw Zin, Alexandre Borrel, Denis Fourches:
Benchmarking 2D/3D/MD-QSAR Models for Imatinib Derivatives: How Far Can We Predict? J. Chem. Inf. Model. 60(7): 3342-3360 (2020) - 2019
- [j25]Jeremy R. Ash, Mélaine A. Kuenemann, Daniel M. Rotroff, Alison A. Motsinger-Reif, Denis Fourches:
Cheminformatics approach to exploring and modeling trait-associated metabolite profiles. J. Cheminformatics 11(1): 43:1-43:15 (2019) - [j24]Rachel Marceau West, Wenbin Lu, Daniel M. Rotroff, Mélaine A. Kuenemann, Sheng-Mao Chang, Michael C. Wu, Michael J. Wagner, John B. Buse, Alison A. Motsinger-Reif, Denis Fourches, Jung-Ying Tzeng:
Identifying individual risk rare variants using protein structure guided local tests (POINT). PLoS Comput. Biol. 15(2) (2019) - 2018
- [j23]Alexandre Borrel, Nicole C. Kleinstreuer, Denis Fourches:
Exploring drug space with ChemMaps.com. Bioinform. 34(21): 3773-3775 (2018) - [j22]George van den Driessche, Denis Fourches:
Adverse drug reactions triggered by the common HLA-B*57: 01 variant: virtual screening of DrugBank using 3D molecular docking. J. Cheminformatics 10(1): 3:1-3:24 (2018) - [j21]Phyo Phyo Kyaw Zin, Gavin Williams, Denis Fourches:
Cheminformatics-based enumeration and analysis of large libraries of macrolide scaffolds. J. Cheminformatics 10(1): 53:1-53:20 (2018) - [j20]Yen S. Low, Vinicius M. Alves, Denis Fourches, Alexander Sedykh, Carolina Horta Andrade, Eugene N. Muratov, Ivan Rusyn, Alexander Tropsha:
Chemistry-Wide Association Studies (CWAS): A Novel Framework for Identifying and Interpreting Structure-Activity Relationships. J. Chem. Inf. Model. 58(11): 2203-2213 (2018) - 2017
- [j19]Alexandre Borrel, Denis Fourches:
RealityConvert: a tool for preparing 3D models of biochemical structures for augmented and virtual reality. Bioinform. 33(23): 3816-3818 (2017) - [j18]George van den Driessche, Denis Fourches:
Adverse drug reactions triggered by the common HLA-B*57: 01 variant: a molecular docking study. J. Cheminformatics 9(1): 13:1-13:17 (2017) - [j17]Jeremy R. Ash, Denis Fourches:
Characterizing the Chemical Space of ERK2 Kinase Inhibitors Using Descriptors Computed from Molecular Dynamics Trajectories. J. Chem. Inf. Model. 57(6): 1286-1299 (2017) - 2016
- [j16]Yen S. Low, Ola Caster, Tomas Bergvall, Denis Fourches, Xiaoling Zang, G. Niklas Norén, Ivan Rusyn, I. Ralph Edwards, Alexander Tropsha:
Cheminformatics-aided pharmacovigilance: application to Stevens-Johnson Syndrome. J. Am. Medical Informatics Assoc. 23(5): 968-978 (2016) - [j15]Denis Fourches, Eugene N. Muratov, Alexander Tropsha:
Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation. J. Chem. Inf. Model. 56(7): 1243-1252 (2016) - 2015
- [j14]Denis Fourches, Regina Politi, Alexander Tropsha:
Target-Specific Native/Decoy Pose Classifier Improves the Accuracy of Ligand Ranking in the CSAR 2013 Benchmark. J. Chem. Inf. Model. 55(1): 63-71 (2015) - 2014
- [j13]Denis Fourches, Maria F. Sassano, Bryan L. Roth, Alexander Tropsha:
HTS navigator: freely accessible cheminformatics software for analyzing high-throughput screening data. Bioinform. 30(4): 588-589 (2014) - [j12]Denis Fourches, Alexander Tropsha:
Fishing out the signal in polypharmacological high-throughput screening data using novel navigator cheminformatics software. J. Cheminformatics 6(S-1): 14 (2014) - [j11]Yen S. Low, Alexander Sedykh, Denis Fourches, Alexander Tropsha:
Chemistry-wide association studies (CWAS) to determine joint toxicity effects of co-occurring chemical features. J. Cheminformatics 6(S-1): 15 (2014) - [j10]Alexander Golbraikh, Eugene N. Muratov, Denis Fourches, Alexander Tropsha:
Data Set Modelability by QSAR. J. Chem. Inf. Model. 54(1): 1-4 (2014) - 2013
- [j9]Liying Zhang, Denis Fourches, Alexander Sedykh, Hao Zhu, Alexander Golbraikh, Sean Ekins, Julie Clark, Michele C. Connelly, Martina Sigal, Dena Hodges, Armand Guiguemde, R. Kiplin Guy, Alexander Tropsha:
Discovery of Novel Antimalarial Compounds Enabled by QSAR-Based Virtual Screening. J. Chem. Inf. Model. 53(2): 475-492 (2013) - [j8]Denis Fourches, Eugene N. Muratov, Feng Ding, Nikolay V. Dokholyan, Alexander Tropsha:
Predicting Binding Affinity of CSAR Ligands Using Both Structure-Based and Ligand-Based Approaches. J. Chem. Inf. Model. 53(8): 1915-1922 (2013) - 2010
- [j7]Denis Fourches, Eugene N. Muratov, Alexander Tropsha:
Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research. J. Chem. Inf. Model. 50(7): 1189-1204 (2010) - [j6]Iurii Sushko, Sergii Novotarskyi, Robert Körner, Anil Kumar Pandey, Artem Cherkasov, Jiazhong Li, Paola Gramatica, Katja Hansen, Timon Schroeter, Klaus-Robert Müller, Lili Xi, Huanxiang Liu, Xiaojun Yao, Tomas Öberg, Farhad Hormozdiari, Phuong Dao, Süleyman Cenk Sahinalp, Roberto Todeschini, Pavel G. Polishchuk, Anatoly G. Artemenko, Victor Kuzmin, Todd Martin, Douglas M. Young, Denis Fourches, Eugene N. Muratov, Alexander Tropsha, Igor I. Baskin, Dragos Horvath, Gilles Marcou, Christophe Muller, Alexandre Varnek, Volodymyr V. Prokopenko, Igor V. Tetko:
Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set. J. Chem. Inf. Model. 50(12): 2094-2111 (2010) - 2008
- [j5]Hao Zhu, Alexander Tropsha, Denis Fourches, Alexandre Varnek, Ester Papa, Paola Gramatica, Tomas Öberg, Phuong Dao, Artem Cherkasov, Igor V. Tetko:
Combinatorial QSAR Modeling of Chemical Toxicants Tested against Tetrahymena pyriformis. J. Chem. Inf. Model. 48(4): 766-784 (2008) - [j4]Igor V. Tetko, Iurii Sushko, Anil Kumar Pandey, Hao Zhu, Alexander Tropsha, Ester Papa, Tomas Öberg, Roberto Todeschini, Denis Fourches, Alexandre Varnek:
Critical Assessment of QSAR Models of Environmental Toxicity against Tetrahymena pyriformis: Focusing on Applicability Domain and Overfitting by Variable Selection. J. Chem. Inf. Model. 48(9): 1733-1746 (2008) - 2006
- [j3]Igor V. Tetko, Vitaly P. Solov'ev, Alexey V. Antonov, Xiaojun Yao, Jean-Pierre Doucet, Bo Tao Fan, Frank Hoonakker, Denis Fourches, Piere Jost, Nicolas Lachiche, Alexandre Varnek:
Benchmarking of Linear and Nonlinear Approaches for Quantitative Structure-Property Relationship Studies of Metal Complexation with Ionophores. J. Chem. Inf. Model. 46(2): 808-819 (2006) - 2005
- [j2]Alexandre Varnek, Denis Fourches, Frank Hoonakker, Vitaly P. Solov'ev:
Substructural fragments: an universal language to encode reactions, molecular and supramolecular structures. J. Comput. Aided Mol. Des. 19(9-10): 693-703 (2005) - 2004
- [j1]Alexandre Varnek, Denis Fourches, Vitaly P. Solov'ev, Vladimir E. Baulin, Alexander N. Turanov, Vasili K. Karandashev, Dan C. Fara, Alan R. Katritzky:
"In Silico" Design of New Uranyl Extractants Based on Phosphoryl-Containing Podands: QSPR Studies, Generation and Screening of Virtual Combinatorial Library, and Experimental Tests. J. Chem. Inf. Model. 44(4): 1365-1382 (2004)
Coauthor Index
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