Journal
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
Volume 149, Issue -, Pages 177-204Publisher
ELSEVIER
DOI: 10.1016/j.chemolab.2015.06.016
Keywords
QSAR; QSPR; Variable selection; Model development; Validation
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Funding
- Iran National Science Foundation (INSF)
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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.
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