I am looking for lists (or repositories) of small molecules with connection tables (or machine-parsable molecular structures) which are Open. By Open I mean that anyone can, in principle download, copy or clone part or all of the site, re-use the information and redistribute without reference to the original site. At present I am aware of:
Pubchem (10 million+ , superset of many Open datasets including NCI. I use this term to subsume everything at nih.gov)
ChEBI (> 25 000 terms collected at EBI, not all with connection tables)
MSD (ligands in Protein structures, collected at EBI > 5000)
WWMM (250, 000 calculated structures from NCI database). Reposited in DSpace,
Crystallographic Open Database crystal structures collected from the literature or donated. Soon to be complemented with CrystalEye. This should give nearly 100,000 crystal structures.
The BlueObelisk Data Repository (BODR). A collection of critical information collected by BO volunteers primarily as reference data for (Open) software. (includes non-molecular stuff like elemental properties). BODR is widely distributed on Gnome and other Open Source distros.
I’ve almost certainly missed some so please let us know....
Posted by
Peter Suber at 4/30/2007 05:32:00 PM.
The open access movement:
Putting peer-reviewed scientific and scholarly literature
on the internet. Making it available free of charge and
free of most copyright and licensing restrictions.
Removing the barriers to serious research.
I recommend the OA tracking project (OATP) as the best way to stay on top of new OA developments. You can read the OATP feed on a blog-like web page or subscribe to it by RSS, email, or Twitter. You can also help build the feed by tagging new developments you encounter.
