ChemistryMedicine

John C. Dearden, M. Cronin, K. Kaiser

2009.4.1SAR AND QSAR IN ENVIRONMENTAL RESEARCH

DOI: 10.1080/10629360902949567

tlooto Summary

21 types of error that continue to be perpetrated in the QSAR/QSPR literature are identified and each is discussed, with examples (including some of the authors' own).

Abstract

Although thousands of quantitative structure–activity and structure–property relationships (QSARs/QSPRs) have been published, as well as numerous papers on the correct procedures for QSAR/QSPR analysis, many analyses are still carried out incorrectly, or in a less than satisfactory manner. We have identified 21 types of error that continue to be perpetrated in the QSAR/QSPR literature, and each of these is discussed, with examples (including some of our own). Where appropriate, we make recommendations for avoiding errors and for improving and enhancing QSAR/QSPR analyses.

Citation format

DEARDEN, John C.; CRONIN, M.; KAISER, K. How not to develop a quantitative structure–activity or structure–property relationship (QSAR/QSPR). SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 2009, 20: 241–266.