Branch-and-Bound Algorithms for Enumerating Treelike Chemical Graphs with Given Path Frequency Using Detachment-Cut-Reference-Cited by-同舟云学术

Branch-and-Bound Algorithms for Enumerating Treelike Chemical Graphs with Given Path Frequency Using Detachment-Cut

Published:2010-04-26 Issue:5 Volume:50 Page:934-946
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Ishida Yusuke¹,Kato Yuki¹,Zhao Liang¹,Nagamochi Hiroshi¹,Akutsu Tatsuya¹

Affiliation:

1. Department of Applied Mathematics and Physics, Graduate School of Informatics, Kyoto University, Yoshida, Kyoto 606-8501, Japan, and Bioinformatics Center, Institute for Chemical Research, Kyoto University, Gokasho, Uji, Kyoto 611-0011, Japan

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci900447z

Reference31 articles.

1. Computer generation of acyclic graphs based on local vertex invariants and topological indices. Derived canonical labelling and coding of trees and alkanes

2. Applications of degree distribution. 2. Construction and enumeration of isomers in the alkane series

3. Computer enumeration and generation of trees and rooted trees

4. Applications of artificial intelligence for chemical inference. XII. Exhaustive generation of cyclic and acyclic isomers

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