Analysis of the biological and molecular properties of phencyclidine-like compounds by chemometrics

D. T. Manallack, J. W. Davies, P. M. Beart, M. R. Saunders, D. J. Livingstone

Research output: Contribution to journalArticleResearchpeer-review

Abstract

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.

Original languageEnglish
Pages (from-to)1029-1032
Number of pages4
JournalArzneimittel-Forschung/Drug Research
Volume43
Issue number10
Publication statusPublished - 1 Jan 1993
Externally publishedYes

Keywords

  • chemometrics
  • computational chemistry
  • neuroprotective drugs
  • phencyclidine analogues, quantitative structure-activity relationships

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