Enhancing Bioassay Annotations in ChEMBL with Artificial Intelligence As the volume and diversity of bioactivity data in ChEMBL continues to grow, ensuring that assay metadata is standardized, interoperable, and machine-readable is critical for effective use in cheminfo...

Check out our new paper available as preprint: chemrxiv.org/engage/chemr...

Journal of Cheminformatics just launched a new special collection on "Evaluating AI and machine learning models in cheminformatics: benchmarking techniques and case studies" guested-edited by G. Colmenarejo, S. Lobentanzer & O. Méndez-Lucio www.biomedcentral.com/collections/...

It’s a rainy day. Just loving the humor of my colleagues @ebi.embl.org

In this review we are thoroughly discussing pros&cons and applications of different NLP/ AI methods for drug discovery….hoping it’s of use!

Great work by my fantastic collaborator @slobentanzer.bsky.social and team!

Target: Receptor tyrosine-protein kinase erbB-2 (CHEMBL2311234) Report card for Target Receptor tyrosine-protein kinase erbB-2 (CHEMBL2311234). Mus musculus, SINGLE PROTEIN, 2.7.10.1, CD_antigen=CD340, Erbb2, Kiaa3023, Neu, ...

The ChEMBL web interface now also displays cross links to Alpha Fold Database. Here is an example: www.ebi.ac.uk/chembl/explo...

Some impressions from yesterday’s morning run on Campus.

From now on you can also follow the teams' efforts on BlueSky.....

Here's a nice Christmas gift - ChEMBL 35 is out! Use your well-deserved Christmas holidays to spend time with your loved ones and explore the new release of ChEMBL 35!            This fresh...

chembl.blogspot.com/2024/12/here...

Still exciting to submit a paper :)

I wonder if that is a sign that this is still the right profession for me?

Thank you! This is exciting; like starting all over again 🥂

Hey; this is my first post on bluesky as I am moving away from X. Hope it will work for me as the good old days of Twitter are long gone.