Chemometrics tools in QSAR/QSPR studies: A historical perspective

One of the most extended subfields of chemometrics, at least by considering the number of publications and interested researchers, is QSAR/QSPR. During the time, various improved and/or alternative methods have been developed in different principal steps of QSAR/QSPR including (i) variable selection, (ii) model construction and (iii) validation evaluation. In the current manuscript, it is tried to represent a short overview on critical and bold developments of chemometrics tools utilized in QSAR/QSPR studies. (C) 2015 Elsevier B.V. All rights reserved.