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Denis Fourches
Person information
- affiliation: North Carolina State University, Department of Chemistry, Raleigh, NC, USA
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2020 – today
- 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)
2010 – 2019
- 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)
2000 – 2009
- 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)
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