The main reasons for R&D failure are the efficacy and safety deficiencies which are related in part to absorption, distribution, metabolism and excretion (ADME) properties and various toxicities (T) or adverse side effects. Here, we developed a platform named ADMETlab which provides a user-friendly, freely available web interface for systematic ADMET evaluation of chemical compounds based on a comprehensive database consisting of 288,967 entries. Four function modules enable users to perform druglikenness analysis, 31 ADMET endpoints prediction, systematic evaluation and similarity searching, which gives an overall understanding of a batch of compounds and can realize the rapid screening process.
Druglikeness analysis.
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ADME/T evaluation.
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Similarity searching based on ADME/T database.
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Systematic ADME/T assessment.
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ADMETlab is supported by CBDD Group, Xiangya School of Pharmaceutical Sciences & Central South University. Use services and download of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and the original publication (see below). Users who use these services should cite the paper in any resulting publications.
- Jie Dong, Ning-Ning Wang, Zhi-Jiang Yao, Lin Zhang, Yan Cheng, Defang Ouyang, Ai-Ping Lu, Dong-Sheng Cao. ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database. Journal of Cheminformatics, 2018, 10:29
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ADMETlab is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License.
E-mail: biomed@csu.edu.cn
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