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.