ChemSpider now integrated into searching with MMDS

metasearch_chemspiderAs of now, searches initiated from the Mobile Molecular DataSheet (MMDS), MolPrime+ or SAR Table include results obtained by searching the ChemSpider database, as well as ChEBI and PubChem. The results from these three public chemical database search engines are combined together into a composite result, which is ready for consumption by the mobile app.

The snapshots to the right demonstrate a name search for sildenafil, which turns up 3 results: one of them is an adduct, while the remaining two are tautomers of each other. As can be seen in the hit list, the first result shows the glyphs for ChEBI and ChemSpider, indicating that the molecule was found in both of these databases, while the last result shows the PubChem glyph, as well as the dollar sign which indicates that it can be purchased from vendors (and if you look closely you can see the tautomer shift).

The detail view is shown for the first hit: the result includes a number of synonyms, and at the bottom of the page, the acknowledgment of the sources, both of which provide a link to the actual compound page corresponding to the ID code for the structure.

While the ChemSpider Mobile app (for Android and iOS) is still the most straightforward way to structure search ChemSpider on a mobile device, the integration of ChemSpider searches with powerful cheminformatics apps like the Mobile Molecular DataSheet and SAR Table opens the door to using it for multistep workflows, such as the example I gave in my recent presentation at the ACS meeting in New Orleans (Mobile + Cloud: …).

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