MCDL format (mcdl)¶
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]