Handling of Inorganic compounds for InChI V2

Handling of Inorganic compounds for InChI V2

Description
The IUPAC International Chemical Identifier (InChI) algorithm is now well established as a powerful means of denoting the basic chemical structure of a well-defined, small (IUPAC Division VIII InChI Subcommittee is now starting work on a complete overhaul of the InChI algorithm, i.e. the beginning of plans for a version 2 of InChI. A crucial part of this work is intended to address the known shortcomings of the current InChI algorithm pertaining to the handling (or lack thereof) of various types of inorganic compounds.

The present project is devoted to analysis of the current handling of the various types of inorganic compounds in InChI, their deficiencies, their connection with metal disconnection and protonation/deprotonation, comparison of InChI’s current algorithm with approaches published in literature and/or used in other databases and software, and putting together a list of new requirements of how an InChI V2 algorithm should handle inorganic compounds and related issues.