Balanced Multi-process Parallel Algorithm for Chemical Compound Inference with Given Path Frequencies View Full Text


Ontology type: schema:Chapter     


Chapter Info

DATE

2010

AUTHORS

Jiayi Zhou , Kun-Ming Yu , Chun Yuan Lin , Kuei-Chung Shih , Chuan Yi Tang

ABSTRACT

To enumerate chemical compounds with given path frequencies is a fundamental procedure in Chemo- and Bio-informatics. The applications include structure determination, novel molecular development, etc. The problem complexity has been proven as NP-hard. Many methods have been proposed to solve this problem. However, most of them are heuristic algorithms. Fujiwara et al. propose a sequential branch-and-bound algorithm. Although it reaches all solutions and avoids exhaustive searching, the computation time still increases significantly when the number of atoms increases. Hence, in this paper, a parallel algorithm is presented for solving this problem. The experimental results showed that computation time was reduced even when more processes were launched. Moreover, the speed-up ratio for most of the test cases was satisfactory and, furthermore, it showed potential for use in drug design. More... »

PAGES

178-187

Book

TITLE

Algorithms and Architectures for Parallel Processing

ISBN

978-3-642-13135-6
978-3-642-13136-3

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/978-3-642-13136-3_18

DOI

http://dx.doi.org/10.1007/978-3-642-13136-3_18

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1015302043


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