search

Sabtu, 07 Oktober 2006

CSLC Versus eMolecules -- Round One

I've finally updated the UsefulChem Molecules blog (subscribe to with BlogLines here) to show eMolecules as the supplier instead of chmoogle.  I've also added a link to perform searches for sub-structures (there are simply too many in most cases to be included directly in the feed).

Using the updated feed, I performed several comparisons between Chemical Structure Lookup Service (CSLC) and eMolecules, and eMolecules came out the clear winner.  For example, for the SMILES
"C(C(NC(=O)OC(C)(C)C)Cc1ccccc1)(=O)O" (which is UC0005 in the UsefulChem Molecules blog), CSLC returned 17 hits, whereas eMolecules gave 46.  Other SMILES gave similar results.  Sheer number of results, of course, may not be the whole story.

Tidak ada komentar:

Posting Komentar