So much to do, so little time

Trying to squeeze sense out of chemical data

Archive for the ‘cas’ tag

Accessing Chemistry on the Web Using Firefox

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With the profusion of chemical information on the web – in the form of chemical names, images of structures, specific codes (InChI etc), it’s sometimes very useful to be able to seamlessly retrieve some extra information while browsing a page that contains such entities. The usual way is to copy the InChI/SMILES/CAS/name string and paste into Pubchem, Chemspider and so on.

However, a much smoother way is now available via a Firefox extension, called NCATSFind, developed by my colleague. It’s a one click install and once installed, automatically identifies a variety of chemical id codes (CAS number, InChI, UNII) and when such entities are identified uses a variety of backend services to provide context. In addition, it has a cool feature that lets you select an image and generate a structure (using OSRA in the background).

Check out his blog post for more details.

Written by Rajarshi Guha

March 22nd, 2014 at 2:57 am

Getting a CAS Number from a PubChem CID

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A few days back, Hari on FriendFeed had asked how one could get a a CAS number from a PubChem compound ID (CID). The reverse, that is finding a CID for a given CAS number is generally quite easy as shown by Rich here and here. Since I was trying to get some writing done, this was a good excuse for a quick hack to solve the problem.

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Written by Rajarshi Guha

December 12th, 2008 at 2:49 am

Posted in software

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