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  • Perception of Tautomerism: Recent Advances in Recognition and Searching of Mobile Groups in Chemical Structure
    • Perception of Tautomerism: Recent Advances in Recognition and Searching of Mobile Groups in Chemical Structure

    • Presenter: Jerald J. Baronofsky, Ph.D. , Company: PerkinElmer Informatics
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  • Tautomers present an interesting problem for chemical search programs. They represent interchangeable structures usually in some sort of equilibrium with each other. For structure search programs to be truly useful they must be able recognize equivalent tautomeric compounds. But should all tautomers be considered the same, and, if not, where do you draw the line?

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