QSAR/QSPR methodology is a great example of sontroversial topic in chemometrics. From very sceptic points of view (doubting if it can really work) to mega enthusiasm. Here, we have purely historical perspective, interesting for both groups .
- S. Yousefinejad, and B. Hemmateenejad, "Chemometrics tools in QSAR/QSPR studies: A historical perspective", Chemometrics and Intelligent Laboratory Systems, vol. 149, pp. 177-204, 2015. http://dx.doi.org/10.1016/j.chemolab.2015.06.016