Computer Science | Drug Discovery Challenging Complexity with Simplicity: Rethinking the Role of Single-Step Models in Computer-Aided Synthesis Planning. June 28, 2024
Bioinformatics | Pharmaceutical Sciences DiffBindFR: an SE(3) equivariant network for flexible protein-ligand docking. May 31, 2024
Bioinformatics | Computational Biology | Drug Development QuoteTarget: A sequence-based transformer protein language model to identify potentially druggable protein targets. December 24, 2022
Chemistry | Computer Science | Pharmaceutical Sciences Advances and Challenges in De Novo Drug Design Using Three-Dimensional Deep Generative Models. May 11, 2022
Bioinformatics | Drug Discovery | Pharmaceutical Chemistry Structure-based drug design using 3D deep generative models. November 11, 2021
Bioinformatics | Drug Discovery | Pharmacology A transferable deep learning approach to fast screen potential antiviral drugs against SARS-CoV-2. June 3, 2021
Bioinformatics | Molecular Biology Sequence-based prediction of protein protein interaction using a deep-learning algorithm. January 12, 2019
Chemical Synthesis | Computational Chemistry Computational Chemical Synthesis Analysis and Pathway Design. November 14, 2018
Bioinformatics | Chemical Toxicology | Pharmacology Deep Learning Based Regression and Multiclass Models for Acute Oral Toxicity Prediction with Automatic Chemical Feature Extraction. February 27, 2018
Machine Learning | Pharmacology | Toxicology Deep Learning for Drug-Induced Liver Injury. November 25, 2016