admetSAR @ LMMD

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 thousands of unique compounds have been manually curated from large literatures. The admetSAR server provides a user-friendly interface to easily search a chemical profiles, by CASRN, common name and similarity search. In addition, 30 high predictive QSAR models were implemented in admetSAR for new chemical ADMET properties in silico filtering.

About Laboratory of Molecular Modeling and Design (LMMD)

Links

	Laboratory of Molecular Modeling and Design
	East China University of Science and Technology, ECUST
	School of Pharmacy (ECUST)
	Get Firefox for the best experience with this site!

Citing admetSAR

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).⇓

Related References

(1) Congying Xu, Feixiong Cheng, Lei Chen, Zheng Du, Weihua Li, Guixia Liu, Philip W. Lee, and Yun Tang. In Silico Prediction of Chemical Ames Mutagenicity. J. Chem. Inf. Model., 2012, 52(11): 2840-2847. (This paper is the 3th most assessed article of JCIM in Oct. 2012).⇓

(2) Feixiong Cheng, Yutaka Ikenaga, Yadi Zhou, Yue Yu, Weihua Li, Jie Shen, Zheng Du, Lei Chen, Congyin Xu, Guixia Liu, Philip W. Lee* and Yun Tang*. In Silico Assessment of Chemical Biodegradability. J. Chem. Inf. Model., 2012, 52(11): 2840-2847. (This paper is the 4th most assessed article of JCIM in Oct. 2012).⇓.

(3) Feixiong Cheng, Yue Yu, Yadi Zhou, Zhonghua Shen, Wen Xiao, Guixia Liu, Weihua Li*, Philip W. Lee and Yun Tang*. Insights into Molecular Basis of Cytochrome P450 Inhibitory Promiscuity of Compounds. J. Chem. Inf. Model., 2012, 52(11): 2840-2847. (This paper is the 3th most assessed article of JCIM in Oct. 2012).⇓.

(4) Feixiong Cheng, Yue Yu, Jie Shen, Lei Yang, Weihua Li*, Guixia Liu, Philip W. Lee and Yun Tang*. Classification of Cytochrome P450 Inhibitors and non-Inhibitors using Combined Classifiers. J. Chem. Inf. Model., 2012, 52(11): 2840-2847. (This paper is the 5th most assessed article of JCIM in Oct. 2012).⇓.

(5) Feixiong Cheng, Jie Shen, Yue Yu, Weihua Li*, Guixia Liu, Philip W. Lee and Yun Tang*. In silico prediction of Tetrahymena pyriformis toxicity for diverse industrial chemicals with substructure pattern recognition and machine learning methods. Chemosphere, 2011, 82(11): 1636-1643.

(6) Jie Shen, Feixiong Cheng, You Xu, Weihua Li* and Yun Tang*. Estimation of ADME Properties with Substructure Pattern Recognition, J. Chem. Inf. Model., 2010, 50, 1034-041.