MOLECULAR TOPOLOGICAL INDEX - AN EXTENSION TO HETEROSYSTEMS

被引：27

作者：

NIKOLIC, S ^{[1
]}

TRINAJSTIC, N ^{[1
]}

MIHALIC, Z ^{[1
]}

机构：

[1] UNIV ZAGREB, FAC SCI & MATH, 41000 ZAGREB, CROATIA

来源：

JOURNAL OF MATHEMATICAL CHEMISTRY | 1993年 / 12卷 / 1-4期

关键词：

D O I：

10.1007/BF01164639

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The molecular topological index (MTI), recently introduced by Schultz, is extended to heterosystems. In order to test the utility of this formulation of the MTI, the index is used to set up the structure-property model for boiling points of alkyl alcohols. This model is comparable to related models based on the connectivity index and on the Wiener index.

引用

收藏

页码：251 / 264

页数：14

相关论文

共 29 条

[1] SOLUBILITY OF NONELECTROLYTES IN POLAR-SOLVENTS .2. SOLUBILITY OF ALIPHATIC-ALCOHOLS IN WATER [J].

AMIDON, GL ;

YALKOWSKY, SH ;

LEUNG, S .

JOURNAL OF PHARMACEUTICAL SCIENCES, 1974, 63 (12) :1858-1866

[2]

[Anonymous], 1971, ADDISONWESLEY SERIES

[3]

Barysz M., 1983, CHEM APPL TOPOLOGY G, V28, P222

[4]

BOSNJAK N, 1987, MODELLING STRUCTURE, P103

[5]

Gutman I., 1973, TOPICS CURR CHEM, V42

[6] CHEMICAL APPLICATIONS OF GRAPH-THEORY .1. FUNDAMENTALS AND TOPOLOGICAL INDEXES [J].

HANSEN, PJ ;

JURS, PC .

JOURNAL OF CHEMICAL EDUCATION, 1988, 65 (07) :574-580

[7] TOPOLOGICAL INDEX - NEWLY PROPOSED QUANTITY CHARACTERIZING TOPOLOGICCAL NATURE OF STRUCTURAL ISOMERS OF SATURATED HYDROCARBONS [J].

HOSOYA, H .

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1971, 44 (09) :2332-+

[8] MOLECULAR TOPOLOGICAL INDEX - AN APPLICATION IN THE QSAR STUDY OF TOXICITY OF ALCOHOLS [J].

JURIC, A ;

GAGRO, M ;

NIKOLIC, S ;

TRINAJSTIC, N .

JOURNAL OF MATHEMATICAL CHEMISTRY, 1992, 11 (1-3) :179-186

[9] MOLECULAR CONNECTIVITY .7. SPECIFIC TREATMENT OF HETEROATOMS [J].

KIER, LB ;

HALL, LH .

JOURNAL OF PHARMACEUTICAL SCIENCES, 1976, 65 (12) :1806-1809

[10]

KIER LB, 1976, MOL CONNECTIVITY CHE, P66