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ChEMBL Database

@ChEMBL

The Organization of Drug Discovery Data

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Improvements in SureChEMBL's chemistry search and adoption of RDKit chembl.blogspot.com/2024/11/improv…


The ChEMBL-og: ChEMBL brings drug bioactivity data to the Protein... chembl.blogspot.com/2024/10/chembl…


Want to dive into the BioChemGraph bioactivity dataset for PDB?🚀Here’s a quick guide to access and explore the BCG training material: colab.research.google.com/drive/16wcovcf… #DrugDiscovery #Structuralbiology #OpenData

Big news for #DrugDiscovery! 🎉BioChemGraph team released its first dataset, linking 17K+ PDB-ligand complexes to 39K @ChEMBL bioactivity records in @PDBeurope & 32K @CCDC IDs in UniChem, speeding drug discovery & repurposing! 🎯 Explore here: ebi.ac.uk/about/news/upd… #OpenData



Big news for #DrugDiscovery! 🎉BioChemGraph team released its first dataset, linking 17K+ PDB-ligand complexes to 39K @ChEMBL bioactivity records in @PDBeurope & 32K @CCDC IDs in UniChem, speeding drug discovery & repurposing! 🎯 Explore here: ebi.ac.uk/about/news/upd… #OpenData


ChEMBL Database Reposted

It has been a busy day. The symposium went really well. So proud of what the @ChEMBL team has achieved. This is due to contributions of many people in the past & present. Never forget that science is a team effort ❤️

Day two of the ChEMBL symposium with talks from Andrew Leach, Nicolas Bosc, Greg Landrum, Anna Gaulton, Brian Marsden, Samanthan Pearman-Kanza, Gerard van Westen, Nathan Brown & Wendy Warr!



ChEMBL Database Reposted

jpo, the “father” of @ChEMBL talking about “the emergence of AI in DD”#EuroQSAR

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ChEMBL Database Reposted

Dr. @SamiKanza, is speaking at the #CHEMBL 15 year symposium! In 2024 European Bioinformatics Institute | @embl-EBI celebrated the 15th anniversary of the first public release of the @ChEMBL database as well as the 10th anniversary of #SureChEMBL.

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ChEMBL Database Reposted

First day of the ChEMBL 15th anniversary symposium happing today. It will be dedicated to workshops. We cover data extration & exploration via the web interface, python client, data clean-up, an introduction to the ChEMBL load process & the new SureChEMBL interface & API @ChEMBL


Poster deadline has been extended to Aug 22. Selected posters will be featured as flash talks :)

Join us to celebrate the 15th anniversary of the ChEMBL database during a two-day symposium on October 1-2. Speakers include @WendyAnneWarr @nathanbroon @annagaulton @dr_greg_landrum @MrNicolasBosc @SamiKanza @GJPvWesten @bmarsden19 Andrew Leach lnkd.in/ef9jJJyd



Join us to celebrate the 15th anniversary of the ChEMBL database during a two-day symposium on October 1-2. Speakers include @WendyAnneWarr @nathanbroon @annagaulton @dr_greg_landrum @MrNicolasBosc @SamiKanza @GJPvWesten @bmarsden19 Andrew Leach lnkd.in/ef9jJJyd


The ChEMBL-og: Legacy SureChEMBL retirement chembl.blogspot.com/2024/07/legacy…


ChEMBL Database Reposted

New team member @christine_w_97 starts today in the @ChEMBL group to work with me and @slobentanzer @saezlab @EuropePMC @OpenTargets on the new "Automating Knowledge Management" project. We'll leverage #NLP, #LLMs & knowledge graphs for data extraction, representation & usage.


ChEMBL Database Reposted

Just sorting through some old filing and found a little bit of ChEMBL history - the first release. Before moving to the EBI the database was called StARLITe - SAR from the Literature.

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ChEMBL Database Reposted

We are providing bursaries - travel reg & accom up to £700 4 @ChEMBL 15 Year Symposium 1-2 Oct. Scientists from low/middle-income countries encouraged 2 apply (all welcome, preferences 4 poster presenters) Send Cover letters to clarep@ebi.ac.uk by 31/7 eventsforce.net/embl/frontend/…


You might be happy to hear that with the help of RSC CICAG, we can offer some bursaries to support attending the meeting. Preference will be given to individuals with underprivileged backgrounds. #Diversity

Join the @ChEMBL 15th anniversary symposium on Oct 1 & 2 on the Wellcome Genome Campus in Hinxton, UK @emblebi: chembl.blogspot.com/2024/05/chembl…



Come and join us - we are recruiting for a Chemical Biology Team Leader! chembl.blogspot.com/2024/06/join-c…


ChEMBL Database Reposted

Thank you to the 1600 of you who have already filled in our user survey! 🙏 🗓️If you haven’t had a chance yet, don’t worry! We’re extending the deadline until 17 June. Please take 8 minutes to share your experiences of our open data resources. surveymonkey.com/r/HJKYKTT?chan…

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Join the @ChEMBL 15th anniversary symposium on Oct 1 & 2 on the Wellcome Genome Campus in Hinxton, UK @emblebi: chembl.blogspot.com/2024/05/chembl…


ChEMBL Database Reposted

Do you use data resources managed by EMBL-EBI? We need your help! Fill in a short 10 minute survey to help us understand usage patterns, impact & how to enhance our open data resources. 🗓️ Closes 7 June surveymonkey.com/r/HJKYKTT?chan…

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ChEMBL Database Reposted

Full Stack Software Developer Join us and help develop a series of web based applications & interfaces for the Computational Chemical Biology team @emblebi @ChEMBL @SureChEMBL -relocation & visa support offered #javascriptjobs #techjobs #devjobs #Python embl.org/jobs/position/…


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