QSPR - THE CORRELATION AND QUANTITATIVE PREDICTION OF CHEMICAL AND PHYSICAL-PROPERTIES FROM STRUCTURE

被引：479

作者：

KATRITZKY, AR ^{[1
]}

LOBANOV, VS ^{[1
]}

KARELSON, M ^{[1
]}

机构：

[1] TARTU STATE UNIV, DEPT CHEM, TARTU 2400, ESTONIA

来源：

CHEMICAL SOCIETY REVIEWS | 1995年 / 24卷 / 04期

关键词：

D O I：

10.1039/cs9952400279

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Quantitative Structure-Property Relationships (QSPR) are equations which relate a chemical, physical, or technological property with molecular structure. The way in which QSPR are deduced from an initial database of the property and the relevant structures is described. QSPR can predict property values for unmeasured or unknown compounds and can also shed light on the way in which molecular structure affects the property in question: although well known for biological properties, they are useful in a much wider area.

引用

页码：279 / +

页数：1

共 38 条

[31] MOLECULAR STRUCTURE-BIOLOGICAL ACTIVITY RELATIONSHIPS ON THE BASIS OF QUANTUM-CHEMICAL CALCULATIONS [J].