The ChEMBL Database An Open Resource for Drug Discovery

The translation of sequence, population and omics data into healthcare advances has been frustratingly slow. This has led to many large commercial organisations downsizing their early-stage R&D. A key factor with new entrants to the drug discovery sector is the lack of high quality open data to support compound design and optimisation. This application builds upon a previous Wellcome Trust Strategic Award (WT086151/Z/08/Z) to extend ChEMBL. ChEMBL captures published bioactivity and structure act ivity relationship (SAR) data and adds curation and semantic annotation to allow data-mining and searching. ChEMBL contains 1.3 million distinct compounds and over 12 million experimental bioactivities. In this current application we will develop: 1) Greater coverage of bioactivity space - to deepen and formalise the data contained in ChEMBL. 2) Enhanced indexing with ontologies - to provide more structured data and ease further integration. 3) Patent coverage - extend chemical-structure /target data to include patent literature. 4) Address variation data to include annotation of resistance and natural population variation. 5) Technology enhancements - including RDF services and an API to ease data entry and curation. 6) Expanded user community of ChEMBL - with new beneficiaries in drug metabolism and pharmacokinetics, clinical, and biotechnology communities.