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Molecular Informatics|November 30, 2020
Cheminformatics Analysis of Fluoroquinolones and their Inhibition Potency Against Four PathogensAlexandre Borrel, Christian Melander, Denis Fourches
Bioinformatics (Oxford, England)|October 17, 2017
RealityConvert: a tool for preparing 3D models of biochemical structures for augmented and virtual realityAlexandre Borrel, Denis Fourches
Bioinformatics (Oxford, England)|May 24, 2018
Exploring drug space with ChemMaps.comAlexandre Borrel, Nicole C Kleinstreuer, Denis Fourches
Journal of Chemical Information and Modeling|July 7, 2020
Benchmarking 2D/3D/MD-QSAR Models for Imatinib Derivatives: How Far Can We Predict?Phyo Phyo Kyaw Zin, Alexandre Borrel, Denis Fourches
Expert Opinion on Drug Discovery|September 13, 2019
4D- quantitative structure-activity relationship modeling: making a comebackDenis Fourches, Jeremy Ash
Molecular Informatics|August 3, 2016
Using Graph Indices for the Analysis and Comparison of Chemical DatasetsDenis Fourches, Alexander Tropsha
Journal of Cheminformatics|January 12, 2021
Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiTXinhao Li, Denis Fourches
Journal of Chemical Information and Modeling|March 15, 2021
SMILES Pair Encoding: A Data-Driven Substructure Tokenization Algorithm for Deep LearningXinhao 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 TrajectoriesJeremy Ash, Denis Fourches
Molecular Informatics|February 24, 2018
Cheminformatics Analysis of Dynamic WNK-Inhibitor InteractionsMelaine A Kuenemann, Denis Fourches
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