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Somayeh added MolSig_is_an_algorithm_written__.tex
over 8 years ago
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MolSig is an algorithm written in C that computes molecular graph descriptors regarding the stereochemistry of the compound structure, based on signature molecular descriptor \cite{Carbonell_2013}. Two types of descriptors can be generated by this algorithm, one which is compliant with the Cahn-Ingold-Prelog priority rules, and the other one is based on definition of a directed acyclic graph that is augmented to a chiral molecular graph.
