ChEMBL

There's a really interesting paper just published in Nature Chemistry - 'Quantifying the chemical beauty of drugs' from the group of Andrew Hopkins up at Dundee. Links to the paper are here, and an associated opinion piece in Nature here.

We'll add these descriptors to a future release of ChEMBL....

%T Quantifying the chemical beauty of drugs
%A G.R. Bickerton
%A G.V. Paolini
%A J. Besnard
%A S. Muresan
%A A.L. Hopkins
%J Nature Chemistry
%V 4
%P 90–98
%D 2012
%O doi:10.1038/nchem.1243