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Welcome to the CheMCS Suite wiki, describing a fast Maximum Common Structure calculation tool for molecules.

Please see usage pages, for information on how to use (tutorials/examples)

Citing
Please cite the article below when using this code:

Duesbury et al, 2017, Comparison of Maximum Common Subgraph Isomorphism Algorithms for the Alignment of 2D Chemical Structures, ChemMedChem. Available at [http://onlinelibrary.wiley.com/doi/10.1002/cmdc.201700482/abstract]