CompScore

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The CompScore Web Service implements an algorithm that searches for the combination of docking scoring functions components that maximizes any of the BEDROC or Enrichment Factor virtual screening metrics through a genetic algorithm search. It is also possible to rescore a dataset provided that a previous run of the CompScore algorithm has been performed. We also provide a python script, ScoresDecomposer.py, that facilitates the summarizing of scores components from Dock, Gold and OEDocking output files in a table for CompScore input. For the details on how the Web Service works you are suggested to read our help pages.