libinchi-bin

Description

The International Chemical Identifier (InChI) is an Open Source chemical structure representation algorithm.

InChIs are text strings comprising different layers and sublayers of information separated by slashes (/). Each InChI strings starts with the InChI version number followed by the main layer. This main layer contains sublayers for chemical formula, atom connections and hydrogen atoms. Depending on the structure of the molecule the main layer may be followed by additional layers e. g. for charge, stereochemical and/or isotop information.

This package contains the executable, inchi_main.

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Homepage

https://www.inchi-trust.org

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