isoenum – a python package to enumerate isotopically resolved InChI

isoenum – a python package to enumerate isotopically resolved InChI
Authored by:
Hunter Moseley

Isotopic (iso) enumerator (enum) – enumerates isotopically resolved InChI (International Chemical Identifier) for metabolites.

The isoenum Python package provides command-line interface that allows you to enumerate the possible isotopically-resolved InChI from one of the Chemical Table file (CTfile) formats (i.e. molfile, SDfile) used to describe chemical molecules and reactions as well as from InChI itself.

https://github.com/MoseleyBioinformaticsLab/isoenum

Information
Content Type Non OER
Uploaded By Steven Wathen
Content Link https://github.com/MoseleyBioinformaticsLab/isoenum
License BSD 3-Clause Clear License
Content Status publish
Number of Comments No Comments
Date Published
Content Tags Application, Audience, Content type, Data Extraction, English, InChI Application, Language, Researcher, Software