Skip to main content

Posts

Showing posts with the label Physical Compounds

Annotation of ChEMBL with compound availability data

We are starting to plan a few things, and one of these is to provide links through to the sources of physically available compounds for ChEMBL. To help us, here's a few questions - I tried to set up an online poll, but lost the will to live with all the spam on polls that is out there. Here are the questions: Is integration of available compounds in ChEMBL a good idea? Should we integrate available compounds via current informatics resources ( e.g . ZINC , ChemSpider )? Should we set up a small set of available compounds from actual suppliers ( e.g . NCGC , MolPort , Prestwick , ChemDiv , Tocris , etc . etc .). If so what suppliers should we use? If you want to contribute,  free to mail if you have any specific ideas, or can help us out on this.