Publication: Managing expectations: assessment of chemistry databases generated by automated extraction of chemical structures from patents

First public disclosure of new chemical entities often takes place in patents, which makes them an important source of information. However, with an ever increasing number of patent applications, manual processing and curation on such a large scale becomes even more challenging. An alternative approach better suited for this large corpus of documents is the automated extraction of chemical structures. A number of patent chemistry databases generated by using the latter approach are now available but little is known that can help to manage expectations when using them. This study aims to address this by comparing two such freely available sources, SureChEMBL and IBM SIIP (IBM Strategic Intellectual Property Insight Platform), with manually curated commercial databases.

Stefan Senger, Luca Bartek, George Papadatos, Anna Gaulton

Full publication: Journal of Cheminformatics, Volume 7:49, October 2015