Quantitative Structure-activity Relationship of Toxicity of Alkyl(1-phenylsulfonyl) Cycloalkane-carboxylates Using MLSER Model and Ab initio
Author:
Publisher
Wiley
Subject
Organic Chemistry,Computer Science Applications,Drug Discovery
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4. Modeling physical and toxicity endpoints of alkyl (1-phenylsulfonyl) cycloalkane-carboxylates using the Ordered Predictors Selection (OPS) for variable selection and descriptors derived with SMILES;Chemometrics and Intelligent Laboratory Systems;2012-08
5. Quantitative structure–activity relationship analysis of acute toxicity of diverse chemicals to Daphnia magna with whole molecule descriptors;SAR and QSAR in Environmental Research;2011-10-01
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