Chemistry | Drug Discovery | Machine Learning Explaining compound activity predictions with a substructure-aware loss for graph neural networks. July 25, 2023
Chemical Biology | Drug Discovery | Oncology Deep Learning Approach for the Discovery of Tumor-Targeting Small Organic Ligands from DNA-Encoded Chemical Libraries. July 24, 2023
Computational Chemistry | Drug Discovery | Pharmacology PredPS: Attention-based graph neural network for predicting stability of compounds in human plasma. July 24, 2023
Artificial Intelligence | Drug Discovery | Pharmacology AI-powered therapeutic target discovery. July 21, 2023
Drug Discovery | Infectious Diseases | Machine Learning Staying Ahead of the Game: How SARS-CoV-2 has Accelerated the Application of Machine Learning in Pandemic Management. July 18, 2023
Bioinformatics | Drug Discovery | Microbiology New drug target identification in by subtractive genome analysis and their inhibitors through molecular docking and molecular dynamics simulations. July 14, 2023
Bioinformatics | Drug Discovery | Pharmacology Graph-DTI: A New Model for Drug-Target Interaction Prediction Based on Heterogenous Network Graph Embedding. July 14, 2023
Drug Discovery | Pharmacology Machine Learning Models to Predict Cytochrome P450 2B6 Inhibitors and Substrates. July 12, 2023
Biomedical Research | Drug Discovery | Structural Biology Cryo2Struct : A Large Labeled Cryo-EM Density Map Dataset for AI-based Reconstruction of Protein Structures. July 3, 2023
Drug Discovery | Machine Learning | Pharmacology | Public Health Multi-objective Molecular Optimization for Opioid Use Disorder Treatment Using Generative Network Complex. July 3, 2023
Artificial Intelligence | Biotechnology | Drug Discovery | Pharmacology AI in drug discovery and its clinical relevance. July 3, 2023
Artificial Intelligence | Drug Discovery | Molecular recognition OCMR: A comprehensive framework for optical chemical molecular recognition. July 2, 2023