Study of chemical subgraph isomorphism using genetic algorithms

Authors
Cai, WS Shao, XG Pan, ZX
Citation
Ws. Cai et al., Study of chemical subgraph isomorphism using genetic algorithms, CHEM J CH U, 20(1), 1999, pp. 32-36
Citations number
5
Categorie Soggetti
Chemistry
Journal title
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
ISSN journal
02510790 → ACNP
Volume
20
Issue
1
Year of publication
1999
Pages
32 - 36
Database
ISI
SICI code
0251-0790(199901)20:1<32:SOCSIU>2.0.ZU;2-G
Abstract
A genetic algorithm(GA) using integer coding and node-based crossover metho d, and its application in studying the chemical subgraph isomorphism were d escribed in this paper, An initial population of random chromosomes represe nting the mapping between target structure and query structure nodes is evo lved by the GA to better solutions until an optimal solution, the correct m apping, is found, Both the chemical subgraph isomorphism and the multi-sulg raph isomorphism were implemented.