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Benchmarking In Silico Metabolite Prediction Tools against Human Radiolabeled ADME Data for Small-Molecule Drugs

Year: 2026

Type: article

Source: Journal of Chemical Information and Modeling

DOI: 10.1021/acs.jcim.5c03045

Authors: Lei Gao, Shu Yan, Kaiyuan Feng, Haonan Liu, Zihao Zhang, Xingxing Diao

Institutions: Chinese Academy of Sciences, Shanghai Institute of Materia Medica, University of Chinese Academy of Sciences, Nanjing University of Chinese Medicine, Tianjin University of Traditional Chinese Medicine

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

SDG: Good health and well-being

Open Access status: closed

Funders: National Natural Science Foundation of China, National Key Research and Development Program of China, Special Project for Research and Development in Key areas of Guangdong Province

Awards: G2430074224, G397736512, G4194950295, G4463091471

OpenAlex ID: W7128717490

FWCI:

Cites: 64

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