COMPUTER-SEARCH FOR SOLVENT AND SOLUTE PARAMETERS THAT DETERMINE PARTITION DATA

被引：1
|
作者：
MIGRON, Y
MARCUS, Y
DODU, M
机构：
[1] HEBREW UNIV JERUSALEM,CTR COMPUTAT,IL-91904 JERUSALEM,ISRAEL
[2] HEBREW UNIV JERUSALEM,DEPT INORGAN & ANALYT CHEM,IL-91904 JERUSALEM,ISRAEL
来源：
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS | 1994年 / 22卷 / 02期
关键词：
D O I：
10.1016/0169-7439(93)E0056-A
中图分类号：
TP [自动化技术、计算机技术];
学科分类号：
0812 ;
摘要：
Solute partitioning between water-immiscible organic solvents and water can be summarized by the matrix product D = PCQ(T). Here P is the matrix of solute properties, Q is that of solvent properties (Q(T) is its transpose), and C describes the weight of each contribution to the data (log partition coefficient) matrix D. Factor analysis, employing singular value decomposition, yields an 'improved' data matrix DBAR and an 'improved' matrix CBAR. Factor analysis and target factor analysis, applied to the 28 x 9 matrix D, showed that there are three principal factors and allowed their selection from among the various parameters offered for this analysis.
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页码：191 / 197
页数：7
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