Open AccessQSAR modeling for predicting reproductive toxicity of chemicals in rats for regulatory purposes
Author(s) -
Nikita Basant,
Shikha Gupta,
Kunwar P. Singh
Publication year - 2016
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/c6tx00083e
Subject(s) - quantitative structure–activity relationship , applicability domain , decision tree , leverage (statistics) , computer science , predictive modelling , machine learning , aquatic toxicology , test set , mean squared error , biochemical engineering , toxicity , statistics , mathematics , chemistry , engineering , organic chemistry
The figure shows the prediction performance of (a) DTF-QSAR and (b) DTB-QSAR models for pLOAEL (rat) in training and test data.
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