Historically, the majority of the bioactivity measurements in the ChEMBL database have been manually extracted from published scientific articles. However, harvesting chemogenomic knowledge in this way is far from ideal and many issues are commonly encountered in transforming such data into a structured, searchable format. Increasingly, a wide variety of communities (including neglected disease organisations, pharmaceutical companies and large, multi-partner consortia) wish to directly deposit their bioactivity data into databases such as ChEMBL alongside traditional publications. Further, research funders are increasingly embracing the “open data” approach. Here we discuss some of the challenges associated with curating data from journal articles, the significant advantages of direct data deposition and the enhancements being made to the ChEMBL database and our data curation workflows to facilitate this.

ChEMBL – encouraging deposition of drug discovery data

256th National Meeting (2018)

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