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Drug Discov Today Technol. 2015 Jul;14:3-9. doi: 10.1016/j.ddtec.2014.12.001. Epub 2015 Feb 11.

Expanding opportunities for mining bioactive chemistry from patents.

Author information

1
IUPHAR/BPS Database and Guide to PHARMACOLOGY Web Portal Group, Centre for Integrative Physiology, School of Biomedical Sciences, University of Edinburgh, Hugh Robson Building, Edinburgh EH8 9XD, UK(1). Electronic address: cdsouthan@hotmail.com.

Abstract

Bioactive structures published in medicinal chemistry patents typically exceed those in papers by at least twofold and may precede them by several years. The Big-Bang of open automated extraction since 2012 has contributed to over 15 million patent-derived compounds in PubChem. While mapping between chemical structures, assay results and protein targets from patent documents is challenging, these relationships can be harvested using open tools and are beginning to be curated into databases.

PMID:
26194581
PMCID:
PMC4548146
DOI:
10.1016/j.ddtec.2014.12.001
[Indexed for MEDLINE]
Free PMC Article

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