Denis Fourches
Orcid: 0000-0001-5642-8303Affiliations:
- North Carolina State University, Department of Chemistry, Raleigh, NC, USA
According to our database1,
Denis Fourches
authored at least 29 papers
between 2004 and 2021.
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Bibliography
2021
SMILES Pair Encoding: A Data-Driven Substructure Tokenization Algorithm for Deep Learning.
J. Chem. Inf. Model., 2021
2020
J. Chem. Inf. Model., 2020
SIME: synthetic insight-based macrolide enumerator to generate the V1B library of 1 billion macrolides.
J. Cheminformatics, 2020
Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiT.
J. Cheminformatics, 2020
2019
Identifying individual risk rare variants using protein structure guided local tests (POINT).
PLoS Comput. Biol., 2019
Cheminformatics approach to exploring and modeling trait-associated metabolite profiles.
J. Cheminformatics, 2019
2018
Chemistry-Wide Association Studies (CWAS): A Novel Framework for Identifying and Interpreting Structure-Activity Relationships.
J. Chem. Inf. Model., 2018
Cheminformatics-based enumeration and analysis of large libraries of macrolide scaffolds.
J. Cheminformatics, 2018
Adverse drug reactions triggered by the common HLA-B*57: 01 variant: virtual screening of DrugBank using 3D molecular docking.
J. Cheminformatics, 2018
2017
Characterizing the Chemical Space of ERK2 Kinase Inhibitors Using Descriptors Computed from Molecular Dynamics Trajectories.
J. Chem. Inf. Model., June, 2017
Adverse drug reactions triggered by the common HLA-B*57: 01 variant: a molecular docking study.
J. Cheminformatics, 2017
RealityConvert: a tool for preparing 3D models of biochemical structures for augmented and virtual reality.
Bioinform., 2017
2016
J. Chem. Inf. Model., 2016
J. Am. Medical Informatics Assoc., 2016
2015
Target-Specific Native/Decoy Pose Classifier Improves the Accuracy of Ligand Ranking in the CSAR 2013 Benchmark.
J. Chem. Inf. Model., 2015
2014
Chemistry-wide association studies (CWAS) to determine joint toxicity effects of co-occurring chemical features.
J. Cheminformatics, 2014
Fishing out the signal in polypharmacological high-throughput screening data using novel navigator cheminformatics software.
J. Cheminformatics, 2014
HTS navigator: freely accessible cheminformatics software for analyzing high-throughput screening data.
Bioinform., 2014
2013
J. Chem. Inf. Model., 2013
Predicting Binding Affinity of CSAR Ligands Using Both Structure-Based and Ligand-Based Approaches.
J. Chem. Inf. Model., 2013
2010
Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set.
J. Chem. Inf. Model., 2010
Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research.
J. Chem. Inf. Model., 2010
2008
Combinatorial QSAR Modeling of Chemical Toxicants Tested against Tetrahymena pyriformis.
J. Chem. Inf. Model., 2008
Critical Assessment of QSAR Models of Environmental Toxicity against <i>Tetrahymena pyriformis: </i> Focusing on Applicability Domain and Overfitting by Variable Selection.
J. Chem. Inf. Model., 2008
2006
Benchmarking of Linear and Nonlinear Approaches for Quantitative Structure-Property Relationship Studies of Metal Complexation with Ionophores.
J. Chem. Inf. Model., 2006
2005
Substructural fragments: an universal language to encode reactions, molecular and supramolecular structures.
J. Comput. Aided Mol. Des., 2005
2004
"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., 2004