期刊
JOURNAL OF CHROMATOGRAPHY A
卷 897, 期 1-2, 页码 23-36出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/S0021-9673(00)00803-7
关键词
quantitative structure-activity relationship; principal component analysis; clustering; sequential projection pursuit; chemometrics
A chemometric study has been conducted on a published data set consisting of the retention times of 83 substances, from five pharmacological families, on eight HPLC systems. Principal component analysis, clustering and sequential projection pursuit were applied. In this way it was investigated to what extent the combination of chromatography and chemometrics allows one to make conclusions about pharmacological activities of (candidate) drugs and what the contribution is of the different HPLC systems considered. (C) 2000 Elsevier Science BN. All rights reserved.
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