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Stereochemically Consistent Reaction Mapping and Identification of Multiple Reaction Mechanisms through Integer Linear Optimization

https://doi.org/10.1021/ci200351b

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What this work says

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Maximum common subgraph isomorphism algorithms for the matching of chemical structures

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LIGAND: database of chemical compounds and reactions in biological pathways

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Nonlinear and Mixed-Integer Optimization

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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MetAMDB: Metabolic Atom Mapping Database

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