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For Workflow: Integrative data mining of chemical compounds from public domain
Integrative data mining of chemical compou... (1)
This workflow downloads ligand data for hepatic Organic Anion Transporting Polypeptides (OATPs) from five different open sources (CHEMBL, Metrabase, USFC-FDA Transportal, IUPHAR, and Drugbank) in an semi-automatized fashion. This workflow can be adopted to any other ligand data showing an (in)activity against membrane transporter. If missing, structural file format is mapped via PubChem webservices. Pre-curated compounds are subjected to standardization procedure (Atkinson standardization scr...
Created: 2018-12-10 | Last updated: 2018-12-10
Credits: Alzbeta Tuerkova