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Molecular Informatics|January 15, 2025
Structural and Dynamic Assessment of Disease-Causing Mutations for the Carnitine Transporter OCTN2Johannes Jokiel, Marcel BermudezMolecular Informatics|November 26, 2024
Interpret Gaussian Process Models by Using Integrated GradientsFan Zhang, Naoaki Ono, Shigehiko KanayaMolecular Informatics|November 19, 2024
Extended Activity Cliffs-Driven Approaches on Data Splitting for the Study of Bioactivity Machine Learning PredictionsKenneth López-Pérez, Ramón Alain Miranda-QuintanaMolecular Informatics|September 30, 2020
SMARTS.plus - A Toolbox for Chemical Pattern DesignChristiane Ehrt, Bennet Krause, Robert Schmidt, et al.Molecular Informatics|March 24, 2020
Cheminformatics Analysis of Natural Product Scaffolds: Comparison of Scaffolds Produced by Animals, Plants, Fungi and BacteriaPeter Ertl, Tim SchuhmannMolecular Informatics|September 20, 2016
Scoring of de novo Designed Chemical Entities by Macromolecular Target PredictionAlexander L Button, Jan A Hiss, Petra Schneider, et al.Molecular Informatics|September 21, 2016
A Simple and Resource-efficient Setup for the Computer-aided Drug Design LaboratoryLoris Moretti, Luca SartoriMolecular Informatics|October 28, 2021
Application of Molecular Docking, Homology Modeling, and Chemometric Approaches to Neonicotinoid Toxicity against Aphis craccivoraLuminita Crisan, Ana Borota, Alina Bora, et al.Molecular Informatics|January 24, 2022
New QSPRs for Liquid Heat CapacityJoseph Bloxham, Daniel Hill, Neil F Giles, et al.Molecular Informatics|September 29, 2021
Prediction of Reaction Yield for Buchwald-Hartwig Cross-coupling Reactions Using Deep LearningAkinori Sato, Tomoyuki Miyao, Kimito FunatsuPageof 101