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oaioai:pure.ed.ac.uk:publications/2657f159-b3cc-4a90-8b67-6a0d88a3a248

Examples of SAR-centric patent mining using open resources

Authors
Publication date
1 July 2017
Publisher
'Elsevier BV'

Abstract

Structure activity relationships (SAR) published in journals underpin medicinal chemistry. However, patents contain more SAR data and surface years earlier. While their documents present challenges for data mining, there has been a recent ” big bang” in the availability of extracted chemistry in open databases. Consequently, PubChem now contains 20 million structures from patents, including most of those associated with bioactivity. This chapter covers a selection of resources, tools and tricks that can be used to dig out patent SAR. It also explores intersects between chemistry curated from papers by ChEMBL and automatically extracted from patents by SureChEMBL

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This paper was published in Edinburgh Research Explorer.

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