Publications
Featured Publications
Amelioration of Alzheimer’s disease pathology by mitophagy inducers identified via machine learning and a cross-species workflow
Published Year: 2022
Impact Factor: 29.2
Pre-Training of Equivariant Graph Matching Networks with Conformation Flexibility for Drug Binding
Published Year: 2022
Impact Factor: 17.5
Rethinking Explaining Graph Neural Networks via Non-parametric Subgraph Matching
Published Year: 2023
Impact Factor: CCF A
Pharmacophoric-constrained heterogeneous graph transformer model for molecular property prediction
Published Year: 2023
Impact Factor: 7.2
HeTDR: Drug repositioning based on heterogeneous networks and text mining
Published Year: 2022
Impact Factor: 6.5
Learning spatial structures of proteins improves protein–protein interaction prediction
Published Year: 2021
Impact Factor: 14.0
PharmaBench: Enhancing ADMET benchmarks with large language models
Published Year: 2024
Impact Factor: 9.8
Automated molecular structure segmentation from documents using ChemSAM
Published Year: 2024
Impact Factor: 8.5
A Smart Strategy for Photoresponsive Molecules: Utilizing Generative Pre-trained Transformer and TDDFT Calculations in Drug Delivery
Published Year: 2024
Impact Factor: NA
Discovery of 2,4-diarylaminopyrimidine derivatives bearing sulfonamide moiety as novel FAK inhibitors
Published Year: 2024
Impact Factor: 5.1
The binding mechanism of failed, in processing and succeed inhibitors target SARS-CoV-2 main protease
Published Year: 2023
Impact Factor: 4.4
An Extensive Benchmark Study on Biomedical Text Generation and Mining with ChatGPT
Published Year: 2023
Impact Factor: 5.8