Duc Duy Nguyen

AGL-Score: Algebraic Graph Learning Score for Protein–Ligand Binding Scoring, Ranking, Docking, and Screening

Duc Duy Nguyen, Guo‐Wei Wei · Journal of Chemical Information and Modeling · 2019 · 226 citations

Engineering, Molecular Biology, Molecular Graphic +18

Algebraic graph-assisted bidirectional transformers for molecular property prediction

Dong Chen, Kaifu Gao, Duc Duy Nguyen et al. · Nature Communications · 2021 · 164 citations · Full text

Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges

Duc Duy Nguyen, Zixuan Cang, Kedi Wu et al. · Journal of Computer-Aided Molecular Design · 2018 · 157 citations · Full text

Geometric Learning, Machine Vision, Machine Learning +14

Are 2D fingerprints still valuable for drug discovery?

Kaifu Gao, Duc Duy Nguyen, Vishnu Sresht et al. · Physical Chemistry Chemical Physics · 2020 · 134 citations · Full text

Molecular Fingerprints, Drug Target, Engineering +19

Generative Network Complex for the Automated Generation of Drug-like Molecules

Kaifu Gao, Duc Duy Nguyen, Meihua Tu et al. · Journal of Chemical Information and Modeling · 2020 · 116 citations · Full text

Drug Target, New Drug Candidates, Engineering +20