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

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Large-scale preparation of fluorescence multiplex host cell reactivation (FM-HCR) reporters

Mutate-and-chemical-shift-fingerprint (MCSF) to characterize excited states in RNA using NMR spectroscopy

Comprehensive multi-attribute method workflow for biotherapeutic characterization and current good manufacturing practices testing

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

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