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Journal of Chemical Information and Modeling|June 10, 2015
VS-APPLE: A Virtual Screening Algorithm Using Promiscuous Protein-Ligand ComplexesTatsuya Okuno, Koya Kato, Tomoki P Terada, et al.Journal of Chemical Information and Modeling|September 4, 2025
A Machine Learning Model for the Proteome-Wide Prediction of Lipid-Interacting ProteinsJonathan Chiu-Chun Chou, Poulami Chatterjee, Cassandra M Decosto, et al.Journal of Chemical Information and Modeling|July 9, 2015
Discovery of Novel CXCR2 Inhibitors Using Ligand-Based Pharmacophore ModelsHelen Ha, Bikash Debnath, Srinivas Odde, et al.Journal of Chemical Information and Modeling|July 10, 2015
Relevance Vector Machines: Sparse Classification Methods for QSARFrank R Burden, David A WinklerJournal of Chemical Information and Modeling|July 10, 2015
Predicting Toxicities of Diverse Chemical Pesticides in Multiple Avian Species Using Tree-Based QSAR Approaches for Regulatory PurposesNikita Basant, Shikha Gupta, Kunwar P SinghJournal of Chemical Information and Modeling|July 26, 2016
Descriptions and Implementations of DL_F Notation: A Natural Chemical Expression System of Atom Types for Molecular SimulationsChin W YongJournal of Chemical Information and Modeling|June 26, 2015
Rule-Based Prediction Models of Cytochrome P450 InhibitionBo-Han Su, Yi-shu Tu, Chieh Lin, et al.Journal of Chemical Information and Modeling|June 3, 2020
Combining Cloud-Based Free-Energy Calculations, Synthetically Aware Enumerations, and Goal-Directed Generative Machine Learning for Rapid Large-Scale Chemical Exploration and OptimizationPhani Ghanakota, Pieter H Bos, Kyle D Konze, et al.Journal of Chemical Information and Modeling|June 4, 2020
Potential Energy Function for Fentanyl-Based Opioid Pain KillersSamo Lešnik, Milan Hodošček, Urban Bren, et al.Journal of Chemical Information and Modeling|August 26, 2021
Force-Field-Based Computational Study of the Thermodynamics of a Large Set of Aqueous Alkanolamine Solvents for Post-Combustion CO2 CaptureJavad Noroozi, William R SmithPageof 909