InChI Software download

InChI version 1 (software version 1.03) for Standard and Non-Standard InChI/InChIKey

(June 2010)

  • INCHI-1-DOC.zip - contains documentation related to InChI/InChIKey identifiers v. 1 and InChI software v. 1.03 (2010).
  • INCHI-1-BIN.zip - contains stand-alone executables for generating the InChI/InChIKey (Windows and Linux).
  • INCHI-1-API.zip - contains code, VC++ projects and gcc makefiles of command-line program inchi-1, as well as of InChI generation library (plus sample applications which use the Library).
  • INCHI-1-TEST.zip - contains the files representing various chemical structures and simple test suite for InChI/InChIKey software.
  • copy of GNU LGPL licence [pdf file - 119KB]

Each zip should be unpacked into a separate directory. For the details, see 'RelNotes.pdf' document in INCHI-1-DOC and the 'readme.txt' files in the respective directories.

InChI version 1 (software version 1.02) for Standard InChI/InChIKey

InChI version 1 (software version 1.02beta)

(September 2007)

  • source code and Application Program Interface (API)
  • stand-alone executable (cInChI)
  • description of new features, with examples of using new functionalitycopy of GNU LGPL licence

[inchi102b.zip - 5.73 MB]

Full InChITM documentation, Windows executable (wInChI.exe), and validation set will be included in the final version 1.02 release.

InChITM version 1 (software version 1.01)

(August 2006)

  • InChITM version 1 (software version 1.01) documentation, and Windows and Linux (i386) executable programs [InChI-1.zip - 6.81MB]
  • InChITM version 1 (software version 1.01) source code and Application Program Interface (API) [InChI-1-API.zip - 3.82MB]
  • InChITM validation protocol [InChI-1-validation.zip - 3.55 MB]
  • What's new in InChI software version 1.01 [Whats_New.pdf- 28 KB]