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MCDL format (mcdl)ΒΆ

Modular Chemical Descriptor Language

As described in [gb2001].

[gb2001]A.A. Gakh and M.N. Burnett. Modular Chemical Descriptor Language (MCDL): Composition, Connectivity and Supplementary Modules. J. Chem. Inf. Comput. Sci., 2004, 41, 1491-1499. [Link]

Here’s an example conversion from SMILES to MCDL:

obabel -:"CC(=O)Cl" -omcdl
CHHH;COCl[2]