Denis Fourches

Publication Activity (10 Years)

Years Active: 2004-2021
Publications (10 Years): 15

Top Topics

Protein Structure

Virtual Screening

Chemical Structures

Adverse Drug Reactions

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

J. Am. Medical Informatics Assoc.

Publications

Xinhao Li, Denis Fourches
SMILES Pair Encoding: A Data-Driven Substructure Tokenization Algorithm for Deep Learning. J. Chem. Inf. Model. 61 (4) (2021)
Xinhao Li, Denis Fourches
Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiT. J. Cheminformatics 12 (1) (2020)
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) (2020)
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) (2020)
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)
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) (2019)
Phyo Phyo Kyaw Zin, Gavin Williams, Denis Fourches
Cheminformatics-based enumeration and analysis of large libraries of macrolide scaffolds. J. Cheminformatics 10 (1) (2018)
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) (2018)
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) (2018)
Alexandre Borrel, Nicole C. Kleinstreuer, Denis Fourches
Exploring drug space with ChemMaps.com. Bioinform. 34 (21) (2018)
Alexandre Borrel, Denis Fourches
RealityConvert: a tool for preparing 3D models of biochemical structures for augmented and virtual reality. Bioinform. 33 (23) (2017)
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) (2017)
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) (2017)
Denis Fourches, Eugene N. Muratov, Alexander Tropsha
Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation. J. Chem. Inf. Model. 56 (7) (2016)
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) (2016)
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) (2015)
Denis Fourches, Alexander Tropsha
Fishing out the signal in polypharmacological high-throughput screening data using novel navigator cheminformatics software. J. Cheminformatics 6 (S-1) (2014)
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) (2014)
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) (2014)
Alexander Golbraikh, Eugene N. Muratov, Denis Fourches, Alexander Tropsha
Data Set Modelability by QSAR. J. Chem. Inf. Model. 54 (1) (2014)
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) (2013)
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) (2013)
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) (2010)
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) (2010)
Igor V. Tetko, Iurii Sushko, Anil Kumar Pandey, Hao Zhu, Alexander Tropsha, Ester Papa, Tomas Öberg, Roberto Todeschini, Denis Fourches, Alexandre Varnek
Focusing on Applicability Domain and Overfitting by Variable Selection. J. Chem. Inf. Model. 48 (9) (2008)
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) (2008)
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) (2006)
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) (2005)
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) (2004)