学术探索
学术期刊
新闻热点
数据分析
智能评审

The characterization of chemical structures using molecular properties. A survey

被引：183
作者：
Livingstone, DJ
机构：
[1] ChemQuest, Sandown PO36 8LZ, Wight, England
[2] Univ Portsmouth, Ctr Mol Design, Portsmouth PO1 2DY, Hants, England
来源：
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 2000年 / 40卷 / 02期
关键词：
D O I：
10.1021/ci990162i
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：195 / 209
页数：15
相关论文
共 243 条
[51]   ESTIMATION OF AUTOIGNITION TEMPERATURES OF HYDROCARBONS, ALCOHOLS, AND ESTERS FROM MOLECULAR-STRUCTURE [J].
EGOLF, LM ;
JURS, PC .
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 1992, 31 (07) :1798-1807
[52]   Molecular connectivity indices of iterated line graphs. A new source of descriptors for QSPR and QSAR studies [J].
Estrada, E ;
Guevara, N ;
Gutman, I ;
Rodriguez, L .
SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 1998, 9 (3-4) :229-240
[53]   USING THEORETICAL DESCRIPTORS IN QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS - SOME PHYSICOCHEMICAL PROPERTIES [J].
FAMINI, GR ;
PENSKI, CA .
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 1992, 5 (07) :395-408
[54]   USING THEORETICAL DESCRIPTORS IN QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS - COMPARISON WITH THE MOLECULAR TRANSFORM [J].
FAMINI, GR ;
KASSEL, RJ ;
KING, JW ;
WILSON, LY .
QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, 1991, 10 (04) :344-349
[55]   USING THEORETICAL DESCRIPTORS IN QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS - OPIATE RECEPTOR ACTIVITY BY FENTANYL-LIKE COMPOUNDS [J].
FAMINI, GR ;
ASHMAN, WP ;
MICKIEWICZ, AP ;
WILSON, LY .
QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, 1992, 11 (02) :162-170
[56]  
Famini GR, 1998, QUANT STRUCT-ACT REL, V17, P558, DOI 10.1002/(SICI)1521-3838(199812)17:06<558::AID-QSAR558>3.3.CO
[57]  
2-T
[58]   EVA: A new theoretically based molecular descriptor for use in QSAR/QSPR analysis [J].
Ferguson, AM ;
Heritage, T ;
Jonathon, P ;
Pack, SE ;
Phillips, L ;
Rogan, J ;
Snaith, PJ .
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 1997, 11 (02) :143-152
[59]   THE STRUCTURE ACTIVITY RELATIONSHIPS OF PYRETHROID INSECTICIDES .1. A NOVEL-APPROACH BASED UPON THE USE OF MULTIVARIATE QSAR AND COMPUTATIONAL CHEMISTRY [J].
FORD, MG ;
GREENWOOD, R ;
TURNER, CH ;
HUDSON, B ;
LIVINGSTONE, DJ .
PESTICIDE SCIENCE, 1989, 27 (03) :305-326
[60]   MULTIVARIATE TECHNIQUES FOR PARAMETER SELECTION AND DATA-ANALYSIS EXEMPLIFIED BY A STUDY OF PYRETHROID NEUROTOXICITY [J].
FORD, MG ;
LIVINGSTONE, DJ .
QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, 1990, 9 (02) :107-114
12345678910