Quantcast

enriching catalog. seeking advice

Previous Topic Next Topic
 
classic Classic list List threaded Threaded
2 messages Options
Reply | Threaded
Open this post in threaded view
|  
Report Content as Inappropriate

enriching catalog. seeking advice

info system
Apologize in advance if the question is not to the right group. Need your advice.

We're trying to achieve two things, both related to enriching our product catalog (less than 1000 items).

1. Looking for a way to add global identifiers such asĀ SDF/MOL, SMILE, MDL, PubChem, etc.; Certainly we can look up every product in our catalog manually and find that information even in wikipedia but what is the easiest and most effective way to do it?

2. Need to add graphical representation to the compounds. How to generate the images for the same catalog.

appreciate your help and suggestions,
-Roman

------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, SlashDot.org! http://sdm.link/slashdot
_______________________________________________
OpenBabel-discuss mailing list
[hidden email]
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
Reply | Threaded
Open this post in threaded view
|  
Report Content as Inappropriate

Re: enriching catalog. seeking advice

Geoff Hutchison
1. Looking for a way to add global identifiers such as SDF/MOL, SMILE, MDL, PubChem, etc.; Certainly we can look up every product in our catalog manually and find that information even in wikipedia but what is the easiest and most effective way to do it?

I don't understand. Are you saying "we just have the names and want to get SMILES, InChI, SD files"? If so, your best bet is to use PubChem to search for the compound name, but that's not guaranteed.

I would assume that you have the chemical structures in some file format. In that case, yes, Open Babel can generate identifiers as you indicate.

2. Need to add graphical representation to the compounds. How to generate the images for the same catalog.

You'll need the chemical structures first.

-Geoff

------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, SlashDot.org! http://sdm.link/slashdot
_______________________________________________
OpenBabel-discuss mailing list
[hidden email]
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
Loading...