On the automatic manipulation of representations of chemical structures

Status of Notation and Topological Systems and Potential Future Trends

“…Interestingly, this call for interconversion of representations of structure is but an echo of that issued by Opler in 1959. 74…”

Automated Conversion of Chemical Substance Names to Atom-Bond Connection Tables

“…The idea of automatic conversion of names to structure representations was discussed by Opler in 1958. 6 Garfield described procedures for generating molecular formulas from systematic names;7 Rush and Elliott have discussed this possibility in terms of recent advances in grammatical analysis.8 Nomenclature translation has also been discussed by Dyson9 and by various workers in the USSR.10-13 Procedures for converting names of steroids to structural diagrams have recently been described by Stillwell.14 At CAS, work on nomenclature translation began with the preparation of an extensive algorithm for the conversion of systematic names to structural representations. The development of this algorithm, upon which the present program is based, was the subject of an earlier paper.15…”