Since its public introduction in 2005 the IUPAC InChI chemical structure identifier standard has become the international, worldwide standard for defined chemical structures. This article will describe the extensive use and dissemination of the InChI and InChIKey structure representations by and for the world-wide chemistry community, the chemical… (More)
From 1970 to 1984, the U.S. Government cooperated with various organizations in the support of the development, maintenance, and distribution of a computer-based chemical information system of spectral and other numeric databases, known as the NIH/EPA Chemical Information System (CIS). This presentation discusses the history of the project and related… (More)
This paper documents the design, layout and algorithms of the IUPAC International Chemical Identifier, InChI.
The IUPAC InChI/InChIKey project has evolved to the point where its future development and promulgation require a new management system that will provide stable and financially viable administrative arrangements for the foreseeable future. This is necessary to give the worldwide chemistry community that IUPAC serves the confidence that facilities for… (More)