Constant time generation of free trees
SIAM Journal on Computing
Efficient Branch-and-Bound Algorithms on a Two-Level Memory System
IEEE Transactions on Software Engineering
Frequent Substructure-Based Approaches for Classifying Chemical Compounds
IEEE Transactions on Knowledge and Data Engineering
Inferring a graph from path frequency
CPM'05 Proceedings of the 16th annual conference on Combinatorial Pattern Matching
WG'05 Proceedings of the 31st international conference on Graph-Theoretic Concepts in Computer Science
Optimal design of multi-product batch plants using a parallel branch-and-bound method
PaCT'11 Proceedings of the 11th international conference on Parallel computing technologies
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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.