Article ID Journal Published Year Pages File Type
5382918 Chemical Physics Letters 2012 4 Pages PDF
Abstract
► QSPR model for water solubility is described. ► The empirical scheme of estimation of reliability of QSPR is suggested. ► Distribution of data into sub-systems of training and test that gives most reliable model is suggested.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
The average numbers of outliers over groups of various splits into training and test sets: A criterion of the reliability of a QSPR? A case of water solubility
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