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Expert Opinion on Drug Discovery
|
September 13, 2019
4D- quantitative structure-activity relationship modeling: making a comeback
Denis Fourches, Jeremy Ash
Molecular Informatics
|
August 3, 2016
Using Graph Indices for the Analysis and Comparison of Chemical Datasets
Denis Fourches, Alexander Tropsha
Bioinformatics (Oxford, England)
|
October 17, 2017
RealityConvert: a tool for preparing 3D models of biochemical structures for augmented and virtual reality
Alexandre Borrel, Denis Fourches
Journal of Cheminformatics
|
January 12, 2021
Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiT
Xinhao Li, Denis Fourches
Journal of Chemical Information and Modeling
|
March 15, 2021
SMILES Pair Encoding: A Data-Driven Substructure Tokenization Algorithm for Deep Learning
Xinhao Li, Denis Fourches
Journal of Chemical Information and Modeling
|
May 5, 2017
Characterizing the Chemical Space of ERK2 Kinase Inhibitors Using Descriptors Computed from Molecular Dynamics Trajectories
Jeremy Ash, Denis Fourches
Molecular Informatics
|
February 24, 2018
Cheminformatics Analysis of Dynamic WNK-Inhibitor Interactions
Melaine A Kuenemann, Denis Fourches
Molecular Informatics
|
March 8, 2017
Cheminformatics Modeling of Amine Solutions for Assessing their CO<sub>2</sub> Absorption Properties
Melaine A Kuenemann, Denis Fourches
Journal of Chemical Information and Modeling
|
December 19, 2014
Target-specific native/decoy pose classifier improves the accuracy of ligand ranking in the CSAR 2013 benchmark
Denis Fourches, Regina Politi, Alexander Tropsha
Journal of Chemical Information and Modeling
|
June 25, 2010
Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research
Denis Fourches, Eugene Muratov, Alexander Tropsha
Page
of 9
Search research articles
Search
Showing results (1-10 of 82) with videos related to
Sort By:
Page
of 9
Expert Opinion on Drug Discovery
|
September 13, 2019
4D- quantitative structure-activity relationship modeling: making a comeback
Denis Fourches, Jeremy Ash
Molecular Informatics
|
August 3, 2016
Using Graph Indices for the Analysis and Comparison of Chemical Datasets
Denis Fourches, Alexander Tropsha
Bioinformatics (Oxford, England)
|
October 17, 2017
RealityConvert: a tool for preparing 3D models of biochemical structures for augmented and virtual reality
Alexandre Borrel, Denis Fourches
Journal of Cheminformatics
|
January 12, 2021
Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiT
Xinhao Li, Denis Fourches
Journal of Chemical Information and Modeling
|
March 15, 2021
SMILES Pair Encoding: A Data-Driven Substructure Tokenization Algorithm for Deep Learning
Xinhao Li, Denis Fourches
Journal of Chemical Information and Modeling
|
May 5, 2017
Characterizing the Chemical Space of ERK2 Kinase Inhibitors Using Descriptors Computed from Molecular Dynamics Trajectories
Jeremy Ash, Denis Fourches
Molecular Informatics
|
February 24, 2018
Cheminformatics Analysis of Dynamic WNK-Inhibitor Interactions
Melaine A Kuenemann, Denis Fourches
Molecular Informatics
|
March 8, 2017
Cheminformatics Modeling of Amine Solutions for Assessing their CO<sub>2</sub> Absorption Properties
Melaine A Kuenemann, Denis Fourches
Journal of Chemical Information and Modeling
|
December 19, 2014
Target-specific native/decoy pose classifier improves the accuracy of ligand ranking in the CSAR 2013 benchmark
Denis Fourches, Regina Politi, Alexander Tropsha
Journal of Chemical Information and Modeling
|
June 25, 2010
Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research
Denis Fourches, Eugene Muratov, Alexander Tropsha
Page
of 9