2013年
Comparison and enumeration of chemical graphs
Computational and Structural Biotechnology Journal
- ,
- 巻
- 5
- 号
- 6
- 開始ページ
- e201302004
- 終了ページ
- 記述言語
- 英語
- 掲載種別
- 書評論文,書評,文献紹介等
- DOI
- 10.5936/csbj.201302004
- 出版者・発行元
- Research Network of Computational and Structural Biotechnology
Chemical compounds are usually represented as graph structured data in computers. In this review article, we overview several graph classes relevant to chemical compounds and the computational complexities of several fundamental problems for these graph classes. In particular, we consider the following problems: determining whether two chemical graphs are identical, determining whether one input chemical graph is a part of the other input chemical graph, finding a maximum common part of two input graphs, finding a reaction atom mapping, enumerating possible chemical graphs, and enumerating stereoisomers. We also discuss the relationship between the fifth problem and kernel functions for chemical compounds. © 2013 Akutsu and Nagamochi.
- ID情報
-
- DOI : 10.5936/csbj.201302004
- ISSN : 2001-0370
- SCOPUS ID : 84891595488