We are presenting a brief overview of the current status of the usage of InChI and InChIKey in several free web services of the NCI/CADD Group at http://cactus.nci.nih.gov, as well as in the underlying very large database of small molecules aggregated from screening sample collections and other sources.  We also present a status update of the efforts to analyze, and if needed modify, the current rules in the InChI algorithm of calculating tautomers and thus ensuring InChI's design goal of being a tautomer-invariant identifier with view of a possible revamping of the handling of tautomerism for a version 2 of InChI.

NCI/CADD Group's InChI usage and analysis of tautomerism for InChI V2

248th National Meeting (2014)

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