Chemical graph matching using transputer networks

This paper discusses the use of networks of transputers for the matching of the labelled graphs which are used to represent chemical structures in computer-based chemical information systems; in particular, the implementation of a relaxation algorithm for chemical substructure searching is described. Tests with a doubly-linked chain of transputers suggest that near-linear speedups can be obtained by a partitioning of the database which is to be searched; lesser speedups are obtained with other network configurations. Current work is described involving the exploitation of an alternative level of parallelism in the relaxation algorithm and the parallel implementation of an algorithm for the identification of the maximal substructures common to a pair of chemical compounds.