..read more

Come and join us - we are recruiting for a Chemical Biology Team Leader! This is an exciting opportunity to lead the Chemical Biology resources, based at the Wellcome Genome Campus in Hinxton near Cambridge, UK.  The chemical biology team at EMBL-EBI delivers world-leading databases and resources to the scientific community. Our flagship resource, ChEMBL, is a database of high-quality quantitative small-molecule bioactivity data curated from the scientific literature and direct data depositions. SureChEMBL is a complementary patent resource containing chemical structu ..read more

  In 2024 we celebrate the 15th anniversary of the first public release of the ChEMBL database as well as the 10th anniversary of SureChEMBL. To recognise this important landmark we are organising a two-day symposium to celebrate the work achieved by ChEMBL and SureChEMBL, and look forward to its future.   Save the date for the ChEMBL 15 Year Symposium October 1-2, 2024    Day one will consist of four workshops, a basic ChEMBL drug design workshop; an advanced ChEMBL workshop (EUbOPEN community workshop); a ChEMBL data deposition workshop; and a SureChEMBL workshop. Day tw ..read more

  (Generated with DALL-E 3 ∙ 11 Janvier 2024 at 11:50 am)   Happy New Year everyone! You already know that we have been working extensively in the last few years to offer a new version of SureChEMBL that can deliver a better user experience. If you did not have the opportunity yet, you can still test the new UI and underlying system. Obviously it is still a beta version but new improvements are deployed weekly and 2024 should be exciting in terms of improvements. As said at the announcement, one of the advantages of the new SureChEMBL is that we can finally develop new functionaliti ..read more

2023 has been a productive year for the ChEMBL team, with two separate releases of ChEMBL, an overhaul of the ChEBI data schema, and the release of the new SureChEMBL. We introduced some new features in ChEMBL, including a flag for Natural Products and Chemical Probes and updated our Natural Product-likeness score. Drug data in ChEMBL and drug warning information has been updated for ChEMBL 32. You can find more detailed information in our 2023 NAR update paper. Another focus this year was the improvement of documentation and processes to make data depostion for ChEMBL easier. The ..read more

Assays describe the experimental set-up when testing the activity of drug-like compounds against biological targets; they provide useful context for researchers interested in drug-target relationships. Version 33 of ChEMBL contains 1.6 million diverse assays spanning ADMET, physicochemical, binding, functional and toxicity experiments. A set of well-defined and structured assay descriptions would be valuable for the drug discovery community, particularly for text mining and NLP projects. These would also support ChEMBL's ongoing efforts towards an in vitro assay classification. This ..read more

(Generated with DALL-E 3 ∙ 30 October 2023 at 1:48 pm) We have some very exciting news to report: the new SureChEMBL is now available! Hooray! What is SureChEMBL, you may ask. Good question! In our portfolio of chemical biology services, alongside our established database of bioactivity data for drug-like molecules ChEMBL, our dictionary of annotated small molecule entities ChEBI, and our compound cross-referencing system UniChem, we also deliver a database of annotated patents! Almost 10 years ago, EMBL-EBI acquired the SureChem system of chemically annotated patents and made this freely ac ..read more

..read more

ChEMBL has recently begun to display the ‘AIDX’ field as part of our assay data. In this Blog post you can find out more about the AIDX as well as how to best populate this field when depositing data to ChEMBL. What is the AIDX? ChEMBL extracts bioactivity data from the core medicinal literature but also accepts deposited data from the scientific community. In fact, deposited data now provides more than half of the bioactivity data within ChEMBL. During the preparation of data for submission to ChEMBL, depositors format and assign identifiers to their data to allow integration into ChE ..read more

  As the Great Big Green Week (UK) draws to a close, so does EMBL-EBI’s own Sustainability week. The Wellcome Genome Campus held events in the areas of recycling, energy use, and biodiversity. The ChEMBL team was keen to get involved and we developed our own Nature Trail event highlighting some of the bioactive compounds from the flora and fauna found on-site, and elsewhere. Our favourite examples include the sensation of mint and chilli and the glorious smell of rain! The full Nature Trail is available for external Public Engagement events and can be made available upon request. D ..read more