Large Language Models for Scientific Synthesis, Inference and Explanation. - Yizhen Zheng; Huan Yee Koh; Jiaxin Ju; Anh T. N. Nguyen; Lauren T. May; Geoffrey I. Webb; Shirui Pan (CoRR, 2023)

GraphormerDTI: A graph transformer-based approach for drug-target interaction prediction. - Mengmeng Gao; Daokun Zhang; Yi Chen; Yiwen Zhang; Zhikang Wang; Xiaoyu Wang 016; Shanshan Li; Yuming Guo 001; Geoffrey I. Webb; Anh T. N. Nguyen; Lauren T. May; Jiangning Song (Comput. Biol. Medicine, 2024)

Large Language Models in Drug Discovery and Development: From Disease Mechanisms to Clinical Trials. - Yizhen Zheng; Huan Yee Koh; Maddie Yang; Li Li; Lauren T. May; Geoffrey I. Webb; Shirui Pan; George Church (CoRR, 2024)

Physicochemical graph neural network for learning protein-ligand interaction fingerprints from sequence data. - Huan Yee Koh; Anh T. N. Nguyen; Shirui Pan; Lauren T. May; Geoffrey I. Webb (Nat. Mac. Intell., 2024)

Datasets for "Physicochemical graph neural network for learning protein-ligand interaction fingerprints from sequence data". - Huan Yee Koh; Anh T. N. Nguyen; Shirui Pan; Lauren T. May; Geoffrey I. Webb (Zenodo, 2024)

Large language models for scientific discovery in molecular property prediction. - Yizhen Zheng; Huan Yee Koh; Jiaxin Ju; Anh T. N. Nguyen; Lauren T. May; Geoffrey I. Webb; Shirui Pan (Nat. Mac. Intell., 2025)