Open PHACTS: meaningful linking of preclinical drug discovery knowledge
Open PHACTS: meaningful linking ofpreclinical drug discovery knowledgehttp://www.openphacts.org/ACS 2013, New OrleansAcknowledgements: Contains contributions from across the OpenPHACTS partners.
#1 Introduction"To reduce the barriers to drug discovery in industry,academia and for small businesses, the Open PHACTSconsortium is building an Open Pharmacological Space(OPS). This will be a freely available platform, integratingpharmacological data from a variety of informationresources and providing tools and services to question thisintegrated data to support pharmacological research."
Example scientific questions1. All oxido,reductase inhibitors active < 100 nM inboth human and mouse.2. Given a target find me all actives against thattarget. Find/predict polypharmacology of actives.Determine ADMET profile of actives.3. Retrieve all experimental and clinical data for agiven list of compounds defined by theirchemical structure (with options to matchstereochemistry or not).4. Identify all known protein-protein interactioninhibitors.
Open PHACTS timeline• Explorer went open early 2013• LDA goes open in 2013• Open PHACTS (1) ends in 2014Specifications (CC-BY-SA)http://www.openphacts.org/specs/Source code at (various Open licenses)http://github.com/openphacts/Data (mixed/open)various locations
Conclusion & Thanx● Joined effort of many partners– I only have a small (1 FTE) role in this● Several partners around here at ACS– Let me know if you like to meet any ofthem● Details– http://www.openphacts.org/– http://explorer.openphacts.org/– Posters: http://www.openphacts.org/docs/173-posters