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Physical Chemistry Chemical Physics : PCCP|April 9, 2020
Are 2D fingerprints still valuable for drug discovery?Kaifu Gao, Duc Duy Nguyen, Vishnu Sresht, et al.Arxiv|October 27, 2022
Emerging dominant SARS-CoV-2 variantsJiahui Chen, Rui Wang, Yuta Hozumi, et al.Journal of Chemical Information and Modeling|December 28, 2022
Emerging Dominant SARS-CoV-2 VariantsJiahui Chen, Rui Wang, Yuta Hozumi, et al.Nature Communications|June 11, 2021
Algebraic graph-assisted bidirectional transformers for molecular property predictionDong Chen, Kaifu Gao, Duc Duy Nguyen, et al.Journal of Chemical Information and Modeling|June 16, 2025
CAML: Commutative Algebra Machine Learning─A Case Study on Protein-Ligand Binding Affinity PredictionHongsong Feng, Faisal Suwayyid, Mushal Zia, et al.Journal of Chemical Theory and Computation|March 16, 2022
Machine Learning Analysis of Cocaine Addiction Informed by DAT, SERT, and NET-Based Interactome NetworksHongsong Feng, Kaifu Gao, Dong Chen, et al.Artificial Intelligence Review|February 26, 2026
Topological data analysis and topological deep learning beyond persistent homology: a reviewZhe Su, Xiang Liu, Layal Bou Hamdan, et al.Nature Communications|January 24, 2023
Structural insights into the elevator-type transport mechanism of a bacterial ZIP metal transporterYao Zhang, Yuhan Jiang, Kaifu Gao, et al.Journal of Chemical Information and Modeling|March 17, 2025
Proteomic Learning of Gamma-Aminobutyric Acid (GABA) Receptor-Mediated AnesthesiaJian Jiang, Long Chen, Yueying Zhu, et al.Journal of the American Chemical Society|June 5, 2025
Superionic Ionic Conductor Discovery via Multiscale Topological LearningDong Chen, Bingxu Wang, Shunning Li, et al.Pageof 27