Q5: For molecules that contain substructure X, retrieve all bioactivity data in serine protease assays.

Created: 2014-09-29 17:23:35      Last updated: 2014-09-29 17:27:44

This workflow requires the input of a substructure of a chemical as represented as a SMILES string and a class of targets from either the ENZYME or Chembl target classification. It answers one of the scientific use cases (Question 5 see K. Azzaoui et al. Scientific competency questions as the basis for semantically enriched open pharmacological space development. Drug Discov. Today 18 (2013), p. 843-852) that was used as the basis for the development of the Open PHACTS Discovery Platform. 


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