Open AccessIn silico prediction of chemical genotoxicity using machine learning methods and structural alerts
Author(s) -
Fan De-fang,
Hongbin Yang,
Fuxing Li,
Lixia Sun,
Peiwen Di,
Weihua Li,
Yun Tang,
Guixia Liu
Publication year - 2017
Publication title -
toxicology research
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.709
H-Index - 31
eISSN - 2045-4538
pISSN - 2045-452X
DOI - 10.1039/c7tx00259a
Subject(s) - genotoxicity , in silico , machine learning , artificial intelligence , computer science , data mining , chemistry , biochemistry , organic chemistry , toxicity , gene
Six machine learning methods combined with six fingerprints and 49 descriptors were utilized to predict chemical genotoxicity.
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