Yaxin Gu, Zhuohang Yu, Yimeng Wang, Long Chen, Chaofeng Lou, Chen Yang, Weihua Li, Guixia Liu, Yun Tang
Absorption, distribution, metabolism, excretion and toxicity (ADMET) properties play a crucial role in drug discovery and chemical safety assessment. Built on the achievements of admetSAR and its successor, admetSAR2.0, this paper introduced the new version of the series, admetSAR3.0, as a comprehensive platform for chemical ADMET assessment, including search, prediction and optimization modules. In the search module, admetSAR3.0 hosted over 370 000 high-quality experimental ADMET data for 104 652 unique compounds, and supplemented chemical structure similarity search function to facilitate read-across...
April 22, 2024: Nucleic Acids Research