Work

Improved and Interpretable Prediction of Cytochrome P450-Mediated Metabolism by Molecule-Level Graph Modeling and Subgraph Information Bottlenecks

Year: 2024

Type: article

Source: Journal of Chemical Information and Modeling

DOI: 10.1021/acs.jcim.4c01632

Authors: Yi Li, Qin-Wei Xu, Guo-Lei Jian, Xiao-Ling Zhang, Hua Wang

Institutions: Dali University, Kunming University of Science and Technology

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

Open Access status: closed

Funders: National Natural Science Foundation of China, Yunnan Provincial Department of Education

Awards: G1208262382, G1979492684

OpenAlex ID: W4404790635

FWCI: 0.39

Cites: 32

Cited by: 2

Related to: 10