Drug Discovery | Pharmacology | Translational Research Drug Intelligence Science (DIS®): pioneering a high-resolution translational platform to enhance the probability of success for drug discovery and development. October 7, 2023
Biochemistry | Drug Discovery | Pharmacology A pharmacophore-guided deep learning approach for bioactive molecular generation. October 6, 2023
Bioinformatics | Computational Biology | Drug Discovery EQUIBIND: A geometric deep learning-based protein-ligand binding prediction method. September 28, 2023
Drug Discovery | Machine Learning Meta-learning for transformer-based prediction of potent compounds. September 26, 2023
Bioinformatics | Drug Discovery | Pharmacology ML-PLIC: a web platform for characterizing protein-ligand interactions and developing machine learning-based scoring functions. September 22, 2023
Artificial Intelligence | Bioinformatics | Drug Discovery | Pharmacology Drug-target binding affinity prediction using message passing neural network and self supervised learning. September 20, 2023
Chemistry | Drug Discovery RPBP: Deep Retrosynthesis Reaction Prediction Based on Byproducts. September 19, 2023
Drug Discovery | Machine Learning | Molecular Biology Equivariant Graph Neural Networks for Toxicity Prediction. September 10, 2023
Drug Discovery | Pharmaceutical Science In silico co-crystal design: assessment of the latest advances. September 9, 2023
Bioinformatics | Drug Discovery | Pharmacology DataDTA: a multi-feature and dual-interaction aggregation framework for drug-target binding affinity prediction. September 9, 2023
Bioinformatics | Drug Discovery | Pharmacology Overfit deep neural network for predicting drug-target interactions. September 8, 2023
Bioinformatics | Chemistry | Drug Discovery Exploring chemical space for lead identification by propagating on chemical similarity network. September 8, 2023