On characterization of chemical structure

被引:134
作者
Randic, M
机构
[1] Dept. of Math. and Computer Science, Drake University, Des Moines
来源
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1997年 / 37卷 / 04期
关键词
D O I
10.1021/ci960174t
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
We briefly review characterization of chemical structure as evolving from the early work on the connectivity index to the latest work on a characterization of 3-D structures, including characterization of the folding of model proteins.
引用
收藏
页码:672 / 687
页数:16
相关论文
共 157 条
[1]   CALCULATION OF RETENTION TIMES OF ANTHOCYANINS WITH ORTHOGONALIZED TOPOLOGICAL INDEXES [J].
AMIC, D ;
DAVIDOVICAMIC, D ;
TRINAJSTIC, N .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1995, 35 (01) :136-139
[2]   STRUCTURE-ACTIVITY CORRELATION OF FLAVONE DERIVATIVES FOR INHIBITION OF CAMP-PHOSPHODIESTERASE [J].
AMIC, D ;
DAVIDOVICAMIC, D ;
JURIC, A ;
LUCIC, B ;
TRINAJSTIC, N .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1995, 35 (06) :1034-1038
[3]  
AMIC D, 1995, CROAT CHEM ACTA, V68, P53
[4]  
Balaban A., 1986, MATCH Commun. Math. Comput. Chem, V21, P115
[5]  
BALABAN AT, 1993, CROAT CHEM ACTA, V66, P447
[6]   LOCAL VERSUS GLOBAL (IE ATOMIC VERSUS MOLECULAR) NUMERICAL MODELING OF MOLECULAR GRAPHS [J].
BALABAN, AT .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1994, 34 (02) :398-402
[7]  
BALABAN AT, 1992, J CHEM INF COMP SCI, V32, P28
[8]  
BALABAN AT, 1976, CHEM APPLICATIONS GR
[9]   GEOMETRY-DEPENDENT CHARACTERISTIC-POLYNOMIALS OF MOLECULAR-STRUCTURES [J].
BALASUBRAMANIAN, K .
CHEMICAL PHYSICS LETTERS, 1990, 169 (03) :224-228
[10]  
Barysz M., 1983, CHEM APPL TOPOLOGY G, P222