Article ID Journal Published Year Pages File Type
7563503 Chemometrics and Intelligent Laboratory Systems 2012 9 Pages PDF
Abstract
► The alkyl(1-phenylsulfonyl)cycloalkane-carboxylates are widely studied in QSA(P)R. ► A data set with 28 derivatives was used to develop new models for six endpoints. ► OPS variable selection method and SMILES derived descriptors were used in this study. ► The obtained models is in accordance to the OECD principles.
Related Topics
Physical Sciences and Engineering Chemistry Analytical Chemistry
Authors
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