Bioinformatics | Molecular Biology | Pharmacology Highly accurate carbohydrate-binding site prediction with DeepGlycanSite. June 17, 2024
Bioinformatics | Oncology | Pharmacology KinomeMETA: meta-learning enhanced kinome-wide polypharmacology profiling. December 19, 2023
Other Learning protein fitness landscapes with deep mutational scanning data from multiple sources. August 17, 2023
Chemoinformatics | Drug design | Pharmaceutical Sciences Tora3D: an autoregressive torsion angle prediction model for molecular 3D conformation generation. June 7, 2023
Chemistry | Pharmaceutical Sciences Cocrystal Prediction of Bexarotene by Graph Convolution Network and Bioavailability Improvement. October 30, 2022
Biomedicine | RNA Biology | Transcriptomics Drug target inference by mining transcriptional data using a novel graph convolutional network framework. October 22, 2021
Chemistry | Drug design | Pharmaceuticals A hybrid framework for improving uncertainty quantification in deep learning-based QSAR regression modeling. September 21, 2021
Bioinformatics | Pharmacology TransformerCPI: Improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments. May 19, 2020
Bioinformatics | Pharmaceutical Sciences Improving the Virtual Screening Ability of Target-Specific Scoring Functions Using Deep Learning Methods. September 11, 2019
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