In silico prediction of Tetrahymena pyriformis toxicity for diverse industrial chemicals with substructure pattern recognition and machine learning methods

Author:

Cheng Feixiong,Shen Jie,Yu Yue,Li Weihua,Liu Guixia,Lee Philip W.,Tang Yun

Funder

New Century Excellent Talents in University

High-Tech Project

111 Project

National S&T Major Project of China

Publisher

Elsevier BV

Subject

General Medicine,General Chemistry,Environmental Chemistry,Environmental Engineering,Pollution,Health, Toxicology and Mutagenesis,Public Health, Environmental and Occupational Health

Reference31 articles.

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2. Random forests;Breiman;Mach. Learn.,2001

3. Chang, C.C., Lin., C.-J., 2010. LIBSVM: A Library for Support Vector Machines. http://www.csie.ntu.edu.tw/~cjlin/libsvm (access date January 18).

4. Support-vector networks;Corinna;Mach. Learn.,1995

5. Comparative assessment of methods to develop QSARs for the prediction of the toxicity of phenols to Tetrahymena pyriformis;Cronin;Chemosphere,2002

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