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

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 journal › Article › Research › peer-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 language	English
Pages (from-to)	1029-1032
Number of pages	4
Journal	Arzneimittel-Forschung/Drug Research
Volume	43
Issue number	10
Publication status	Published - 1 Jan 1993
Externally published	Yes

Keywords

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

Cite this

@article{9dc2fc7208134ca0a3cd761f07b1835a,

title = "Analysis of the biological and molecular properties of phencyclidine-like compounds by chemometrics",

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.",

keywords = "chemometrics, computational chemistry, neuroprotective drugs, phencyclidine analogues, quantitative structure-activity relationships",

author = "Manallack, \{D. T.\} and Davies, \{J. W.\} and Beart, \{P. M.\} and Saunders, \{M. R.\} and Livingstone, \{D. J.\}",

year = "1993",

month = jan,

day = "1",

language = "English",

volume = "43",

pages = "1029--1032",

journal = "Arzneimittel-Forschung/Drug Research",

issn = "0004-4172",

publisher = "Thieme Publishing Group",

number = "10",

}

TY - JOUR

T1 - Analysis of the biological and molecular properties of phencyclidine-like compounds by chemometrics

AU - Manallack, D. T.

AU - Davies, J. W.

AU - Beart, P. M.

AU - Saunders, M. R.

AU - Livingstone, D. J.

PY - 1993/1/1

Y1 - 1993/1/1

N2 - 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.

AB - 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.

KW - chemometrics

KW - computational chemistry

KW - neuroprotective drugs

KW - phencyclidine analogues, quantitative structure-activity relationships

UR - https://www.scopus.com/pages/publications/0027521997

M3 - Article

C2 - 8267664

AN - SCOPUS:0027521997

SN - 0004-4172

VL - 43

SP - 1029

EP - 1032

JO - Arzneimittel-Forschung/Drug Research

JF - Arzneimittel-Forschung/Drug Research

IS - 10

ER -

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

Abstract

Keywords

Other files and links

Cite this