Algorithms that optimally & efficiently map atomic reactions. See 1) Atomic Reaction Mapping {Crabtree: amazon, b&n} 2) J. of Exp. Algorithmics, Vol 13 {Crabtree, Mehta} 3) J. Chem. Inf. Model., 2010, 50 (9), pp 1751–1756 {Crabtree, Mehta, Kouri}.

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  • egonw Posted 2010-10-08
    Thanx for using the CDK!
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Command-line

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Java

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Java Chemistry Software, Java Bio-Informatics Software, Java Mathematics Software

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2008-12-17
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