InChI: open-source chemical structure representation algorithm

Downloads of InChI Software – pre-release for 1.06

FINAL PRE-RELEASE PR3

Download InChI version 1 (software version 1.06PR3) for Standard and Non-Standard InChI/InChIKey (7 September 2020)

This package contains InChI Software version 1.06PR3 (Fall 2020) final pre-release.

Please use the SourceForge inchi-discuss list for any comments (register via https://lists.sourceforge.net/lists/listinfo/inchi-discuss).

InChI Software v. 1.06PR3 includes several additions and modifications to previous versions; it is a combination of “bugfix release” and “feature release”.

What is new:

– security-related bugfixes;
– a number of other bugfixes and minor improvements;
– experimental support for pseudo element (Zz, or “star”) atoms;
– modified experimental support of InChI/InChIKey for regular single-strand polymers (explicit pseudo atoms are used);
– minor update to InChI API Library;
– optional support of Intel(R) Threading Building Blocks scalable memory allocators;
– several convenience features (for example, ability to use less strict rules for assigning tetrahedral stereo in large rings) and corresponding software options.

For more details, please check the documents included in the distribution (all in PDF format):

– RelNotes (a brief description of novel and changed features)
– CHANGELOG (list of changes relative to the previous release)
– KNOWNISSUES (list of known issues)
– LICENCE (IUPAC/InChI Trust software licence)
– InChI_UserGuide (software user’s guide)
– InChI_API_Reference (programmer’s reference for API library)
– InChI_TechMan (technical manual on InChI identifier)