Ruiqiang Lu

An adaptive graph learning method for automated molecular interactions and properties predictions

Yuquan Li, Chang‐Yu Hsieh, Ruiqiang Lu et al. · Nature Machine Intelligence · 2022 · 53 citations

Engineering, Graph Theory, Data Science +13

Introducing block design in graph neural networks for molecular properties prediction

Yuquan Li, Pengyong Li, Xing Yang et al. · Chemical Engineering Journal · 2021 · 30 citations

Graph Neural Networks, Engineering, Graph Theory +13

Identification of LRRK2 Inhibitors through Computational Drug Repurposing

Shuoyan Tan, Ruiqiang Lu, Dahong Yao et al. · ACS Chemical Neuroscience · 2023 · 22 citations

Improving drug-target affinity prediction via feature fusion and knowledge distillation

Ruiqiang Lu, Jun Wang, Pengyong Li et al. · Briefings in Bioinformatics · 2023 · 22 citations · Full text

A deep learning approach for rational ligand generation with toxicity control via reactive building blocks

Pengyong Li, K.N. Zhang, Tianxiao Liu et al. · Nature Computational Science · 2024 · 12 citations