Dt. Manallack et al., ANALYSIS OF THE BIOLOGICAL AND MOLECULAR-PROPERTIES OF PHENCYCLIDINE-LIKE COMPOUNDS BY CHEMOMETRICS, Arzneimittel-Forschung, 43-2(10), 1993, pp. 1029-1032
The quantitative structure-activity relationships (QSAR's) of 3 series
of arylcylohexylamines have been investigated using computational che
mistry and multivariate statistics. Principal component analysis of th
e aromatic ring data set demonstrated some clustering of activity cate
gories. Biological activity of the cyclohexane ring data set was corre
lated with molar refractivity. These findings may be useful for predic
ting the activity of novel neuroprotective agents.