Computational Biology | Drug Discovery Evaluation of AlphaFold2 Structures for Hit Identification across Multiple Scenarios. April 17, 2024
Gastroenterology | Pharmacology Discovery of Pyrazolo[3,4-]pyridazinone Derivatives as Selective DDR1 Inhibitors via Deep Learning Based Design, Synthesis, and Biological Evaluation. November 25, 2021
Biomedicine | RNA Biology | Transcriptomics Drug target inference by mining transcriptional data using a novel graph convolutional network framework. October 22, 2021
Chemistry | Drug Discovery | Pharmaceutical Sciences Pushing the boundaries of molecular representation for drug discovery with graph attention mechanism. August 13, 2019
Drug Discovery | Pharmacology Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation. July 31, 2019
Other KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules. June 22, 2019