ChEMBL

The latest release of the fabulous GDB databases is out - GDB-17. Well it's almost out, a diverse 50,000,000 subset is available for download, not the full 166,000,000,000 compounds detailed in the paper. Which is a shame. I had a glass of port at lunch, with my (tinned) lobster bisque soup, and slipped off to sleep for a few minutes with some junk on the radio about the new James Bond film on in the background...... as is the case when you've on-board some crustacean, alcohol and combine it with some autosuggestion; I had a funny dream.

There was an evil super villain - Hugh Jin-chi, who had built a large compute farm buried deep in a mountain on a sub-tropical island, with associated nuclear power plants for cooling. It had one sole purpose, to enumerate every possible Lipinski-like small molecule and dump everyone of them in a publicly searchable free chemical database called ChemShadow, for use by patent agents the world over for novelty checking. His evil goal, to undermine the Western patent system for chemicals and destroy the very basis of healthcare research and patient benefits from pharmaceutical R&D. There was also something to do with 3D conformer generation, but that just seems crazy........

I woke up, sweaty, feverish and scared.