Changes in the 1971 edition of the IUPAC book, Nomenclature of Organic Chemistry," from the previous editions (Sections A and B, 1966, and Section C, 1965) are listed with details of the changes. (Author)

A new method of indexing functional groups in organic compounds is described, utilizing the Cahn-Ingold-Prelog sequence rule. Functional carbon atoms are first classified by functionality, a measure of the oxidation state, then ordered by means of a modified sequence rule. Substructure searching and other applications are discussed. (30…

As each Wiswesser Line Notation symbol for a structure containing a branching chain and/or multiplied groups is extracted in a left-to-right scan, the symbol to which it was connected in the graphic formula must be jnown. For highly branched structures the program logic becomes quite complex. (Author)

Construction of the locant path, a table of interatom connections, and the molformula from the WLN for complex ring systems (including polycyclic, spiro, perifused, bridged, and pseudo-bridged rings) is described. The procedure has been programmed for a digital computer and has been found useful in manual decoding also. (Author)

Describes a system for the management and analysis of chemical structure-biological activity data wherein the chemical structures, encoded in Wiswesser Line Notation, are checked for accuracy, stored, and retrieved by computer. Unification of description and activity of bio-systems. Structuring data files. (Author)

The set reduction algorithm is based on set theory and Boolean algebra rather than the graph-theoretic approach. Time trials with a small file of organic chemical structures indicate that the algorithm can be economically used for substructure (or complete structure) sequential searches on a file containing 30,000-50,000 computer-coded structures.…