Showing results (1-10 of 109) with videos related to
Sort By:
Pageof 11
Frontiers in Chemistry|November 7, 2022
Optimizing interactions to protein binding sites by integrating docking-scoring strategies into generative AI methodsSusanne Sauer, Hans Matter, Gerhard Hessler, et al.Journal of Chemical Information and Modeling|September 5, 2023
Integrating Reaction Schemes, Reagent Databases, and Virtual Libraries into Fragment-Based Design by Reinforcement LearningSusanne Sauer, Hans Matter, Gerhard Hessler, et al.Methods in Molecular Biology (Clifton, N.J.)|November 3, 2021
Artificial Intelligence in Compound DesignChristoph Grebner, Hans Matter, Gerhard HesslerJournal of Medicinal Chemistry|March 6, 2020
Automated De Novo Design in Medicinal Chemistry: Which Types of Chemistry Does a Generative Neural Network Learn?Christoph Grebner, Hans Matter, Alleyn T Plowright, et al.Journal of Chemical Information and Modeling|January 26, 2022
Interpretation of Structure-Activity Relationships in Real-World Drug Design Data Sets Using Explainable Artificial IntelligenceTobias Harren, Hans Matter, Gerhard Hessler, et al.Journal of Chemical Information and Modeling|October 8, 2025
Upgrading Reliability in Molecular Property Prediction by Robust Quantification of Uncertainty from Machine Learning ModelsAlex Kötter, Kanishka Singh, Hans Matter, et al.Chemmedchem|October 1, 2021
Application of Deep Neural Network Models in Drug Discovery ProgramsChristoph Grebner, Hans Matter, Daniel Kofink, et al.Chembiochem : a European Journal of Chemical Biology|April 29, 2024
Task-Similarity is a Crucial Factor for Few-Shot Meta-Learning of Structure-Activity RelationshipsAlex Kötter, Stephan Allenspach, Christoph Grebner, et al.ACS Omega|July 3, 2023
Impact of Applicability Domains to Generative Artificial IntelligenceMaxime Langevin, Christoph Grebner, Stefan Güssregen, et al.Journal of Chemical Information and Modeling|January 28, 2020
Impact of Different Automated Binding Pose Generation Approaches on Relative Binding Free Energy SimulationsDaniel Cappel, Steven Jerome, Gerhard Hessler, et al.Pageof 11