OptADMET: a web-based tool for substructure modifications to improve ADMET properties of lead compounds

Jiacai Yi, Shaohua Shi, Li Fu, Ziyi Yang, Pengfei Nie, Aiping Lu, Chengkun Wu, Yafeng Deng, Changyu Hsieh, Xiangxiang Zeng, Tingjun Hou, Dongsheng Cao

Published: 2024-01-23 DOI: 10.1038/s41596-023-00942-4

ADMET properties

Lead optimization

Web-based tool

Chemical transformation rules

Drug discovery

AI 解读

Supplementary information

Supplementary Information

Supplementary Figs. 1–5 and Tables 1–5.

Reporting Summary

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OptADMET: a web-based tool for substructure modifications to improve ADMET properties of lead compounds

Supplementary information

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