Analysis of the biological and molecular properties of phencyclidine-like compounds by chemometrics.
David T. Manallack, J W Davies, PM Beart, Saunders Mr, Livingstone Dj · PubMed · 1993
The quantitative structure-activity relationships (QSAR's) of 3 series of arylcyclohexylamines have been investigated using computational chemistry and multivariate statistics. Principal component analysis of the aromatic ring data set demonstrated some clustering of activity categories. Biological activity of the cyclohexane ring data set was correlated with molar refractivity. These findings may be useful for predicting the activity of novel neuroprotective agents.