Substructures Searching Parallel Processing

FIGURE 6.6 Toxicology workflow. An analysis of steatosis (a pathological process) is performed by searching for compounds and proteins involved in steatosis-related literature. The compounds identified are subsequently analyzed for common substructures to evaluate any links between steatosis and specific chemical substructures. A parallel workflow identifies proteins and their associated pathways through statistical overrepresentation in association with steatosis. Courtesy of InforSense. 

Fourth, we have noted that the computational demands of three-dimensional substructure searching are much greater than those for conventional two-dimensional substructure searching. It is possible that recent developments in parallel computer hardware ° may provide a simple way of increasing the efficiency of three-dimensional substructure searching, and there have already been several reports of the use of parallel processing techniques for two-... 

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