InChI, the IUPAC International Chemical Identifier

J Cheminform. 2015 May 30:7:23. doi: 10.1186/s13321-015-0068-4. eCollection 2015.

Abstract

This paper documents the design, layout and algorithms of the IUPAC International Chemical Identifier, InChI.

Keywords: Chemical identifier; Chemical structure linear notation; IUPAC standard; InChI; InChIKey.