ChEMBL Webinars

We will be running a new series of webinars over the next few months. These will cover a range of topics including basic introductions to the Chemogenomics resources (ChEMBL, SureChEMBL, UniChem) as well as more detailed topics, a schema walkthrough and ChEMBL web services.

The first webinar will be a basic introduction to ChEMBL and will be on 22nd February at 2pm GMT (3pm CET, 9am EST).

If you would like to attend the webinar, please email to register.
Please note, spaces are limited so please let us know as soon as possible if you register but are then unable to attend.

We will post further details of upcoming webinars here, so watch this space!

The ChEMBL Team

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Here's a nice Christmas gift - ChEMBL 35 is out!

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Dear SureChEMBL users, If you frequently rely on our "chemistry search" feature, today brings great news! We’ve recently implemented a major update that makes your search experience faster than ever. What's New? Last week, we upgraded our structure search engine by aligning it with the core code base used in ChEMBL . This update allows SureChEMBL to leverage our FPSim2 Python package , returning results in approximately one second. The similarity search relies on 256-bit RDKit -calculated ECFP4 fingerprints, and a single instance requires approximately 1 GB of RAM to run. SureChEMBL’s FPSim2 file is not currently available for download, but we are considering generating it periodicaly and have created it once for you to try in Google Colab ! For substructure searches, we now also use an RDKit -based solution via SubstructLibrary , which returns results several times faster than our previous implementation. Additionally, structure search results are now sorted by...

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Improved querying for SureChEMBL

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