A GRAPH-THEORETIC APPROACH TO MODELING METABOLIC PATHWAYS

被引：6
|
作者：
GIFFORD, E
JOHNSON, M
TSAI, CC
机构：
[1] UPJOHN CO,KALAMAZOO,MI 49001
[2] KENT STATE UNIV,DEPT CHEM,KENT,OH 44242
来源：
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN | 1991年 / 5卷 / 04期
关键词：
MODELING METABOLIC PATHWAYS; CHEMICAL GRAPHS; ARTIFICIAL INTELLIGENCE; TRANSFORMS;
D O I：
10.1007/BF00126665
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
The metabolic pathways of medazepam, oxazepam, and diazepam were modeled using graph-theoretic transforms which are incorporable into computer-assisted metabolic analysis programs. The information, represented in the form of a graph-theoretic transform kit, which was obtained from these pathways was then used to predict the metabolites of other benzodiazepine compounds. The transform kits gave statistically significant predictions with respect to a statistical method for evaluating the performance of the transform kits.
引用
收藏
页码：303 / 322
页数：20
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