06 02 17 - Filed in: Cheminformatics
Download InChI version 1 (software version 1.05) for Standard and Non-Standard InChI/InChIKey (27 January 2017)
This package contains InChI Software version 1.05 (January 2017) final release.
In this version:
- support for chemical element numbers 113-118 was newly added;
- experimental support of InChI/InChIKey for simple regular single-strand polymers was implemented;
- experimental support of large molecules containing up to 32767 atoms was added;
- ability to read necessary for large molecules input files in Molfile V3000 format was added;
- provisional support for extended features of Molfile V3000 was added;
- InChI API Library was significantly updated; in particular, a novel API procedure for direct conversion of Molfile input to InChI has been added; a whole new set of API procedures for both low and high-level operations (InChI extensible interface, IXA) has been added;
- the source code was significantly modified in order to ensure multi-thread execution safety of
- the InChI Library; several minor bugfixes/changes were made and several convenience options were added to the inchi-1 executable.