We all know just how useless HTS is, don't we?

Well, there's a great paper in a recent Nature Reviews Drug Discovery from a cross-industry set of authors on a retrospective analysis of HTS in drug discovery - lots of data, lots of examples, and a balanced argument for the case for high-throughput screening in modern pharmaceutical discovery.

%T Impact of high-throughput screening in biomedical research
%J Nature Rev. Drug Disc.
%V 10
%D 2012 
%P 188-195
%A R. Macarron
%A M.N. Banks
%A D. Bojanic
%A D.J. Burns
%A D.A. Cirovic
%A T. Garyantes
%A D.V.S. Green
%A R.P. Hertzberg
%A W.P. Janzen
%A J.W. Paslay
%A U. Schopfer
%A G.S. Sittampalam

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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...

ChEMBL 34 is out!

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Improved querying for SureChEMBL

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ChEMBL brings drug bioactivity data to the Protein Data Bank in Europe

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