Bioinformatics | Computational Biology | Pharmacology GCFMCL: predicting miRNA-drug sensitivity using graph collaborative filtering and multi-view contrastive learning. July 10, 2023
Bioinformatics | Pharmacology Improving drug-target affinity prediction via feature fusion and knowledge distillation. April 26, 2023
Bioinformatics | Chemistry MetalProGNet: a structure-based deep graph model for metalloprotein-ligand interaction predictions. February 27, 2023
Bioinformatics | Oncology | Pharmacology Development, validation, and evaluation of a deep learning model to screen cyclin-dependent kinase 12 inhibitors in cancers. February 24, 2023
Other Predicting molecular properties based on the interpretable graph neural network with multistep focus mechanism. December 16, 2022
Bioinformatics | Chemistry | Pharmacology ChemistGA: A Chemical Synthesizable Accessible Molecular Generation Algorithm for Real-World Drug Discovery. September 6, 2022
Bioinformatics | Pharmacology RELATION: A Deep Generative Model for Structure-Based De Novo Drug Design. June 17, 2022
Drug Discovery | Pharmacology Exploring Low-Toxicity Chemical Space with Deep Learning for Molecular Generation. June 17, 2022
Biochemistry | Drug Development | Pharmacology Deep Scoring Neural Network Replacing the Scoring Function Components to Improve the Performance of Structure-Based Molecular Docking. June 3, 2021
Computational Drug Discovery | Pharmaceutical Sciences An effective self-supervised framework for learning expressive molecular global representations to drug discovery. May 3, 2021
Biomedicine | Computational Biology | Drug Discovery TrimNet: learning molecular representation from triplet messages for biomedicine. November 4, 2020
Bioinformatics | Drug design | Medicine MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm. August 11, 2020