ChEMBL Database

365 posts

ChEMBL Database

ChEMBL Database

@ChEMBL

The Organization of Drug Discovery Data

Hinxton, UK Katılım Haziran 2013
35 Takip Edilen2.9K Takipçiler
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EMBL-EBI
EMBL-EBI@emblebi·
Welcome, Noel O’Boyle! Joining as EMBL-EBI’s new Chemical Resources Team Leader, Noel brings with him a background in chemistry, programming, & data-driven drug discovery 💊 Find out more: ebi.ac.uk/about/news/per…
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GlobalBiodata
GlobalBiodata@globalbiodata·
Our featured GCBR of the week is ChEMBL, a manually curated database of bioactive molecules with drug-like properties, bringing together chemical, bioactivity and genomic data. Click the link to find out more bit.ly/3QV4eJ6 @UKRI_News @wellcometrust @EMBL
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Protein Data Bank
Protein Data Bank@PDBeurope·
🚨 New from PDBe! Check out the revamped PDBeChem service with enhanced Ligand Pages! 🔍 Explore detailed ligand data, interaction stats, bound structures, related ligands, and more—all in one place. 👉 Read more in the news: ebi.ac.uk/pdbe/news/pdbe…
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ChEMBL Database
ChEMBL Database@ChEMBL·
Want to dive into the BioChemGraph bioactivity dataset for PDB?🚀Here’s a quick guide to access and explore the BCG training material: #scrollTo=DQonDbyjY6CU" target="_blank" rel="nofollow noopener">colab.research.google.com/drive/16wcovcf… #DrugDiscovery #Structuralbiology #OpenData
ChEMBL Database@ChEMBL

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

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Barbara Zdrazil
Barbara Zdrazil@BZdrazil·
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 ❤️
Barbara Zdrazil@BZdrazil

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!

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