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Journal of Chemical Information and Modeling|May 16, 2012
Machine learning methods for property prediction in chemoinformatics: Quo Vadis?Alexandre Varnek, Igor BaskinCombinatorial Chemistry & High Throughput Screening|September 18, 2008
Building a chemical space based on fragment descriptorsIgor Baskin, Alexandre VarnekMolecular Informatics|July 25, 2023
Conjugated quantitative structure-property relationship models: Prediction of kinetic characteristics linked by the Arrhenius equationDmitry Zankov, Timur Madzhidov, Igor Baskin, et al.Molecular Informatics|April 20, 2017
Generative Topographic Mapping of Conformational SpaceDragos Horvath, Igor Baskin, Gilles Marcou, et al.Journal of Chemical Information and Modeling|March 14, 2013
Predicting ligand binding modes from neural networks trained on protein-ligand interaction fingerprintsVladimir Chupakhin, Gilles Marcou, Igor Baskin, et al.Journal of Chemical Information and Modeling|January 8, 2009
Inductive transfer of knowledge: application of multi-task learning and feature net approaches to model tissue-air partition coefficientsAlexandre Varnek, Cédric Gaudin, Gilles Marcou, et al.Journal of Chemical Information and Modeling|November 4, 2022
Inverse QSAR: Reversing Descriptor-Driven Prediction Pipeline Using Attention-Based Conditional Variational AutoencoderWilliam Bort, Daniyar Mazitov, Dragos Horvath, et al.Analytical Chemistry|February 1, 2014
Quantitative structure-property relationship modeling: a valuable support in high-throughput screening quality controlFiorella Ruggiu, Patrick Gizzi, Jean-Luc Galzi, et al.Methods in Molecular Biology (Clifton, N.J.)|September 15, 2010
Fragment descriptors in structure-property modeling and virtual screeningAlexandre VarnekMolecular Informatics|July 29, 2016
Chemoinformatics as a Theoretical Chemistry DisciplineAlexandre Varnek, Igor I BaskinPageof 16