Work

Conformalized Graph Learning for Molecular ADMET Property Prediction and Reliable Uncertainty Quantification

Year: 2024

Type: article

Source: Journal of Chemical Information and Modeling

DOI: 10.1021/acs.jcim.4c01139

Authors: Peiyao Li, Lan Hua, Zhechao Ma, Wenbo Hu, Ye Liu, Jun Zhu

Institutions: BeiGene (China), Tsinghua University, Hefei University of Technology

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

Funder: National Natural Science Foundation of China

Award: G2711818151

OpenAlex ID: W4404576493

FWCI: 4.296

Cites: 49

Cited by: 22

Related to: 10