A stereochemically accurate chemical substance database based on the systematic names of organic compounds

Abstract

As the chemical nomenclature of organic compounds of the IUPAC type is a kind of artificial language, it is possible to analyse the components and syntax of nomenclatures using a dictionary and computer programs to build their total structure. Such techniques were first developed by Vander-Stouw of CAS in the 1970s (1) and then at the Beilstein Institute and recently by Cooke-Fox (2). However their details are not known. Moreover those programs seem not to process stereochemistry. On the other hand, Petrarca et al (3) and then Wipke (4,5) reported methods to handle stereochemistry in computers in earlier works. But these methods seemed to require direct structural diagram input and the algorithm to obtain stereo-specifically standardised connection table preserving its chemical meaning in relation to the structural diagram seems not be sufficient.