Bioinformatics | Computational Biology | Drug Discovery DynamicBind: predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model. February 5, 2024
Drug Discovery | Pharmacology DRlinker: Deep Reinforcement Learning for Optimization in Fragment Linking Design. November 21, 2022
Bioinformatics | Chemoinformatics Deep learning driven biosynthetic pathways navigation for natural products with BioNavi-NP. June 10, 2022
Medicinal Chemistry | Pharmaceutical Sciences Deep scaffold hopping with multimodal transformer neural networks. November 14, 2021
Bioinformatics | Molecular Biology To improve the predictions of binding residues with DNA, RNA, carbohydrate, and peptide via multi-task deep neural networks. October 12, 2021
Medicinal Chemistry | Pharmacology Kinase Inhibitor Scaffold Hopping with Deep Learning Approaches. September 29, 2021
Bioinformatics | Proteomics | Structural Biology Precise estimation of residue relative solvent accessible area from Cα atom distance matrix using a deep learning method. August 27, 2021
Infectious Diseases | Radiology | Respiratory Medicine Deep learning Enables Accurate Diagnosis of Novel Coronavirus (COVID-19) with CT images. March 11, 2021
Bioinformatics | Biology Structure-aware protein solubility prediction from sequence through graph convolutional network and predicted contact map. February 9, 2021
Orthopedics | Pharmacology Deep learning enables discovery of highly potent anti-osteoporosis natural products. November 7, 2020
Chemistry Predicting Retrosynthetic Reactions using Self-Corrected Transformer Neural Networks. December 11, 2019
Chemistry | Data Science Identifying Structure-Property Relationships through SMILES Syntax Analysis with Self-Attention Mechanism. February 25, 2019