I have blogged previously about our integration to IUCr. I am happy to announce that we have been busily curating their data and are presently active in indexing thousands of chemical structures and articles. We will definitely have problems in accurately representing organometallics with our present structure rendering and handling and due to the limitations of InChI. For the time being we are focused on organic molecules. As we index the molecules we are adding the Author and Title, linked via the DOI to the original article on the IUCr website, to the record. So, you will see something like this in the Supplementary Data section.


Expanding the index will grow the connectivities to IUCr structure by structure. We presently have >1300 structures on the dedicated website, iucr.chemspider.com. Enjoy.

Stumble it!

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