Bioinformatics | Computational Biology | Drug Discovery Artificial intelligence in the prediction of protein-ligand interactions: recent advances and future directions. December 1, 2021
Biology | Chemistry | Drug Discovery A point cloud-based deep learning strategy for protein-ligand binding affinity prediction. December 1, 2021
Bioinformatics | Drug Discovery [Protein modeling and design based on deep learning]. November 29, 2021
Artificial Intelligence | Biomedical Engineering | Drug Discovery Enhancing preclinical drug discovery with artificial intelligence. November 28, 2021
Chemical Toxicology | Drug Discovery Chemical toxicity prediction based on semi-supervised learning and graph convolutional neural network. November 28, 2021
Bioinformatics | Drug Discovery DD-GUI: a Graphical User Interface for Deep Learning-Accelerated Virtual Screening of Large Chemical Libraries (Deep Docking). November 17, 2021
Drug Discovery | Infectious Diseases Deep Learning Driven Drug Discovery: Tackling Severe Acute Respiratory Syndrome Coronavirus 2. November 15, 2021
Computational Chemistry | Drug Discovery | Pharmacology V-Dock: Fast Generation of Novel Drug-like Molecules Using Machine-Learning-Based Docking Score and Molecular Optimization. November 13, 2021
Drug Discovery | Pharmacology DrugEx v2: de novo design of drug molecules by Pareto-based multi-objective reinforcement learning in polypharmacology. November 13, 2021
Biochemistry | Drug Discovery | Pharmacology Identification of Novel Antagonists Targeting Cannabinoid Receptor 2 Using a Multi-Step Virtual Screening Strategy. November 13, 2021
Bioinformatics | Drug Discovery | Pharmaceutical Chemistry Structure-based drug design using 3D deep generative models. November 11, 2021
Bioinformatics | Drug Discovery | Pharmacology Binding affinity prediction for protein-ligand complex using deep attention mechanism based on intermolecular interactions. November 9, 2021