Structure-activity relationships for antiplasmodial activity among aminoquinolines

被引：0

作者：

Qi, YH

Xu, L ^{[1
]}

Liu, ZY

机构：

[1] Acad Sinica, Changchun Inst Appl Chem, Changchun 130022, Peoples R China

[2] Norman Bethune Univ Med Sci, Changchun 130023, Peoples R China

来源：

CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE | 2000年 / 21卷 / 02期

关键词：

extended gravitational index; quantum-chemical descriptors; aminoquinolines; evolutionary algorithm; QSAR;

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The extended gravitational index G(Q) and quantum-chemical descriptors were calculated for the relationship analysis of aminoquinolines. An evolutionary algorithm was described for variable selection and building QSAR models. And the quasi-newton neural networks were employed with better results.

引用

页码：219 / 221

页数：3

共 7 条

[1] Structure-activity relationships for antiplasmodial activity among 7-substituted 4-aminoquinolines
De, DYD
Krogstad, FM
Byers, LD
Krogstad, DJ
[J]. JOURNAL OF MEDICINAL CHEMISTRY, 1998, 41 (25) : 4918 - 4926
[2] Quantum-chemical descriptors in QSAR/QSPR studies
Karelson, M
Lobanov, VS
Katritzky, AR
[J]. CHEMICAL REVIEWS, 1996, 96 (03) : 1027 - 1043
[3] Correlation of boiling points with molecular structure .1. A training set of 298 diverse organics and a test set of 9 simple inorganics
Katritzky, AR
Mu, L
Lobanov, VS
Karelson, M
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (24): : 10400 - 10407
[4] LU X, 1994, ENVIRON TOXICOL CHEM, V13, P841
[5] Shen Q, 1997, CHEM J CHINESE U, V18, P544
[6] WANG T, 1997, COMPUT APPL CHEM, V14, P95
[7] Wu YP, 1998, CHEM J CHINESE U, V19, P694

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