This is the Linux app named MolSig whose latest release can be downloaded as molsig-code-v1.tar.gz. It can be run online in the free hosting provider OnWorks for workstations.
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MolSig
Ad
DESCRIPTION
An algorithm to compute molecular graph descriptors considering the stereochemistry of the molecular structure, based on our previously introduced signature molecular descriptor.
The algorithm can generate two types of descriptors, one which is compliant with the Cahn-Ingold-Prelog priority rules, and a faster one based on our previous definition of a directed acyclic graph that isaugmented to a chiral molecular graph.
Audience
Science/Research
Programming Language
C
Categories
This is an application that can also be fetched from https://sourceforge.net/projects/molsig/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.
