Comments on: 21.5 Million unique chemical entities and growing http://www.chemspider.com/blog/215-million-unique-chemical-entities-and-growing.html Building Community for Chemists Tue, 14 May 2013 21:50:31 +0000 hourly 1 http://wordpress.org/?v=3.5 By: Antony Williams http://www.chemspider.com/blog/215-million-unique-chemical-entities-and-growing.html/comment-page-1#comment-180558 Antony Williams Tue, 16 Jun 2009 02:36:26 +0000 http://www.chemspider.com/blog/?p=1357#comment-180558 Craig..thanks for the pointer. The IDs have been changed and the links provide much richer information now. Thanks for the guidance…much appreciated!

]]> By: Craig James http://www.chemspider.com/blog/215-million-unique-chemical-entities-and-growing.html/comment-page-1#comment-180516 Craig James Mon, 15 Jun 2009 17:54:22 +0000 http://www.chemspider.com/blog/?p=1357#comment-180516 We’re pleased that your users now have access to our structures.

One suggestion: The “cgi-bin/more” URL that you are using does not work correctly with the 2D data set that you downloaded. The eMolecules.com IDs are for the “parent” structures (the structures without salts or solvates), but all of the data are associated with specific “version” structures (the specific compounds from the original SD file).

We’d like to suggest that you change the URL in your link to use “cgi-bin/search?id=nnnnnn”? For example, http://www.emolecules.com/cgi-bin/search?id=483009 will find all of the structures associated with the parent cyclohexane.

Best regards,
Craig

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