About admetSAR

Absorption, Distribution, Metabolism, Excretion and Toxicity (ADMET) properties of drug candidates or environmental chemicals play a key role in drug discovery and environmental hazard assessment. The ADMET structure-activity relationship server, entitled admetSAR, is a comprehensive knowledge and tool for predicting ADMET properties of drug candidates and environmental chemicals. In our server, over 200,000 ADMET annotated data points for about 96 thousand of unique compounds have been manually curated from large literatures. The admetSAR server provides a user-friendly interface to easily search for chemical profiles, by CASRN, common name and similarity search.

The new version of admetSAR (version 2.0) mainly focuses on in silico prediction of chemical ADMET properties. More than 40 predictive models were implemented in admetSAR for new chemical ADMET properties in silico filtering. These models are trained by state-of-the-art machine learning methods including support vector machine, k-nearest neighbors, nueral network, etc.

Website

http://lmmd.ecust.edu.cn/admetsar2

Sometimes you may not be able to visit the website due to security issues in China. Please be patient or contact the corresponding author Prof. Yun Tang for support.

Current Status

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Tutorial

The tutorial can be downloaded here. Contribution to the tutorial is welcome. Please click here to see the source. For feedback, suggestions, or for bug reports, feel free to contact us.

Citing admetSAR
  • https://doi.org/10.1093/bioinformatics/bty707
    Hongbin Yang, Chaofeng Lou, Lixia Sun, Jie Li, Yingchun Cai, Zhuang Wang, Weihua Li, Guixia Liu, Yun Tang. admetSAR 2.0: web-service for prediction and optimization of chemical ADMET properties. Bioinformatics, 2018, bty707. ⇓
  • Feixiong Cheng, Weihua Li, Yadi Zhou, Jie Shen, Zengrui Wu, Guixia Liu, Philip W. Lee, Yun Tang. admetSAR: a comprehensive source and free tool for evaluating chemical ADMET properties. J. Chem. Inf. Model., 2012, 52(11): 3099-3105. (This paper is the hot paper of JCIM in Dec. 2012). ⇓

    • About the models
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