Medicinal Chemistry | Pharmacology The Metabolic Rainbow: Deep Learning Phase I Metabolism in Five Colors. February 10, 2020
Bioinformatics | Medicinal Chemistry | Pharmacology Machine Learning Models for Accurate Prediction of Kinase Inhibitors with Different Binding Modes. August 30, 2019
Medicinal Chemistry | Pharmaceutical Sciences Concepts of Artificial Intelligence for Computer-Assisted Drug Discovery. July 11, 2019
Drug Discovery | Medicinal Chemistry | Pharmaceutical Sciences An exploration strategy improves the diversity of de novo ligands using deep reinforcement learning: a case for the adenosine A receptor. May 25, 2019
Bioinformatics | Medicinal Chemistry | Pharmacology Automated discovery of GPCR bioactive ligands. May 21, 2019
Bioinformatics | Medicinal Chemistry De Novo Design of Bioactive Small Molecules by Artificial Intelligence. December 18, 2018
Medicinal Chemistry | Pharmacology Perturbation Theory/Machine Learning Model of ChEMBL Data for Dopamine Targets: Docking, Synthesis, and Assay of New l-Prolyl-l-leucyl-glycinamide Peptidomimetics. November 21, 2018
Drug design | Medicinal Chemistry | Pharmaceutical Sciences Multi-objective de novo drug design with conditional graph generative model. November 14, 2018
Bioinformatics | Medicinal Chemistry | Pharmacology Macromolecular target prediction by self-organizing feature maps. June 5, 2017