The index of ideality of correlation: A criterion of predictive potential of QSPR/QSAR models?

Citation data:

Mutation research, ISSN: 1873-135X, Vol: 819, Page: 31-37

Publication Year:
2017
Usage 4
Abstract Views 4
Captures 2
Readers 2
Social Media 3
Tweets 3
Citations 1
Citation Indexes 1
PMID:
28622828
DOI:
10.1016/j.mrgentox.2017.05.008
Author(s):
Toropov, Andrey A, Toropova, Alla P
Publisher(s):
Elsevier BV
Tags:
Biochemistry, Genetics and Molecular Biology, Environmental Science
Most Recent Tweet View All Tweets
article description
The index of ideality of correlation (IIC) is a new criterion of the predictive potential of quantitative structure-property/activity relationships (QSPRs/QSARs). This IIC is calculated with using of the correlation coefficient between experimental and calculated values of endpoint for the calibration set, with taking into account the positive and negative dispersions between experimental and calculated values. The mutagenicity is well-known important characteristic of substances from ecological point of view. Consequently, the estimation of the IIC for mutagenicity is well motivated. It is confirmed that the utilization of this criterion significantly improves the predictive potential of QSAR models of mutagenicity. The new criterion can be used for other endpoints.

This article has 0 Wikipedia mention.