Q5: For molecules that contain substructur...
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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 Dis...
Created: 2014-09-29
| Last updated: 2014-09-29
Credits:
Christine Chichester
Daniela Digles
Open PHACTS