Denis Fourches

29 papers Journal 29

Year	Rank	Type	Title / Venue / Authors
2021	J	`jnl`	SMILES Pair Encoding: A Data-Driven Substructure Tokenization Algorithm for Deep Learning. J. Chem. Inf. Model. Xinhao Li, Denis Fourches
2020	J	`jnl`	Benchmarking 2D/3D/MD-QSAR Models for Imatinib Derivatives: How Far Can We Predict? J. Chem. Inf. Model. Phyo Phyo Kyaw Zin, Alexandre Borrel, Denis Fourches
2020	J	`jnl`	Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiT. J. Cheminformatics Xinhao Li, Denis Fourches
2020	J	`jnl`	SIME: synthetic insight-based macrolide enumerator to generate the V1B library of 1 billion macrolides. J. Cheminformatics Phyo Phyo Kyaw Zin, Gavin Williams, Denis Fourches
2019	J	`jnl`	Cheminformatics approach to exploring and modeling trait-associated metabolite profiles. J. Cheminformatics Jeremy R. Ash, Mélaine A. Kuenemann, Daniel M. Rotroff, Alison A. Motsinger-Reif, Denis Fourches
2019	J	`jnl`	Identifying individual risk rare variants using protein structure guided local tests (POINT). PLoS Comput. Biol. 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
2018	J	`jnl`	Adverse drug reactions triggered by the common HLA-B*57: 01 variant: virtual screening of DrugBank using 3D molecular docking. J. Cheminformatics George van den Driessche, Denis Fourches
2018	J	`jnl`	Cheminformatics-based enumeration and analysis of large libraries of macrolide scaffolds. J. Cheminformatics Phyo Phyo Kyaw Zin, Gavin Williams, Denis Fourches
2018	J	`jnl`	Chemistry-Wide Association Studies (CWAS): A Novel Framework for Identifying and Interpreting Structure-Activity Relationships. J. Chem. Inf. Model. Yen S. Low, Vinicius M. Alves, Denis Fourches, Alexander Sedykh, Carolina Horta Andrade, Eugene N. Muratov, Ivan Rusyn, Alexander Tropsha
2018	J	`jnl`	Exploring drug space with ChemMaps.com. Bioinform. Alexandre Borrel, Nicole C. Kleinstreuer, Denis Fourches
2017	J	`jnl`	Adverse drug reactions triggered by the common HLA-B*57: 01 variant: a molecular docking study. J. Cheminformatics George van den Driessche, Denis Fourches
2017	J	`jnl`	Characterizing the Chemical Space of ERK2 Kinase Inhibitors Using Descriptors Computed from Molecular Dynamics Trajectories. J. Chem. Inf. Model. Jeremy R. Ash, Denis Fourches
2017	J	`jnl`	RealityConvert: a tool for preparing 3D models of biochemical structures for augmented and virtual reality. Bioinform. Alexandre Borrel, Denis Fourches
2016	J	`jnl`	Cheminformatics-aided pharmacovigilance: application to Stevens-Johnson Syndrome. J. Am. Medical Informatics Assoc. Yen S. Low, Ola Caster, Tomas Bergvall, Denis Fourches, Xiaoling Zang, G. Niklas Norén, Ivan Rusyn, I. Ralph Edwards, Alexander Tropsha
2016	J	`jnl`	Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation. J. Chem. Inf. Model. Denis Fourches, Eugene N. Muratov, Alexander Tropsha
2015	J	`jnl`	Target-Specific Native/Decoy Pose Classifier Improves the Accuracy of Ligand Ranking in the CSAR 2013 Benchmark. J. Chem. Inf. Model. Denis Fourches, Regina Politi, Alexander Tropsha
2014	J	`jnl`	Chemistry-wide association studies (CWAS) to determine joint toxicity effects of co-occurring chemical features. J. Cheminformatics Yen S. Low, Alexander Sedykh, Denis Fourches, Alexander Tropsha
2014	J	`jnl`	Data Set Modelability by QSAR. J. Chem. Inf. Model. Alexander Golbraikh, Eugene N. Muratov, Denis Fourches, Alexander Tropsha
2014	J	`jnl`	Fishing out the signal in polypharmacological high-throughput screening data using novel navigator cheminformatics software. J. Cheminformatics Denis Fourches, Alexander Tropsha
2014	J	`jnl`	HTS navigator: freely accessible cheminformatics software for analyzing high-throughput screening data. Bioinform. Denis Fourches, Maria F. Sassano, Bryan L. Roth, Alexander Tropsha
2013	J	`jnl`	Discovery of Novel Antimalarial Compounds Enabled by QSAR-Based Virtual Screening. J. Chem. Inf. Model. 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
2013	J	`jnl`	Predicting Binding Affinity of CSAR Ligands Using Both Structure-Based and Ligand-Based Approaches. J. Chem. Inf. Model. Denis Fourches, Eugene N. Muratov, Feng Ding, Nikolay V. Dokholyan, Alexander Tropsha
2010	J	`jnl`	Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set. J. Chem. Inf. Model. 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 M. 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
2010	J	`jnl`	Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research. J. Chem. Inf. Model. Denis Fourches, Eugene N. Muratov, Alexander Tropsha
2008	J	`jnl`	Combinatorial QSAR Modeling of Chemical Toxicants Tested against Tetrahymena pyriformis. J. Chem. Inf. Model. Hao Zhu, Alexander Tropsha, Denis Fourches, Alexandre Varnek, Ester Papa, Paola Gramatica, Tomas Öberg, Phuong Dao, Artem Cherkasov, Igor V. Tetko
2008	J	`jnl`	Critical Assessment of QSAR Models of Environmental Toxicity against J. Chem. Inf. Model. Igor V. Tetko, Iurii Sushko, Anil Kumar Pandey, Hao Zhu, Alexander Tropsha, Ester Papa, Tomas Öberg, Roberto Todeschini, Denis Fourches, Alexandre Varnek
2006	J	`jnl`	Benchmarking of Linear and Nonlinear Approaches for Quantitative Structure-Property Relationship Studies of Metal Complexation with Ionophores. J. Chem. Inf. Model. 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
2005	J	`jnl`	Substructural fragments: an universal language to encode reactions, molecular and supramolecular structures. J. Comput. Aided Mol. Des. Alexandre Varnek, Denis Fourches, Frank Hoonakker, Vitaly P. Solov'ev
2004	J	`jnl`	"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. Alexandre Varnek, Denis Fourches, Vitaly P. Solov'ev, Vladimir E. Baulin, Alexander N. Turanov, Vasili K. Karandashev, Dan C. Fara, Alan R. Katritzky