Development of JST polymer database 'PoLyInfo' (3): algorithmic generation of IUPAC structure-based names of polymers--phase 1.

Autor: Iimuro, Shigeru1 (AUTHOR), Maeda, Chikako1 (AUTHOR), Takaeda, Yoshio2 (AUTHOR), Nagasaka, Kyosuke2 (AUTHOR)
Předmět:
Zdroj: Journal of Information Processing & Management / Joho Kanri. May2000, Vol. 43 Issue 2, p131-137. 7p.
Abstrakt: Discusses the development of a program to generate IUPAC structure-based names of linear homopolymers (regular single-strand polymers). The name is generated from the chemical structure of a constitutional repeating unit represented by a line notation system. Although it is known that some similar programs exist for organic compounds, no such programs have been developed for polymers. In order to design an algorithm to generate names which are based exactly on UIPAC rules, the authors examine in detail not only the IUPAC source-based nomenclature for regular single-strand polymers, but also the IUPAC nomenclature of organic compounds. In the first phase of development, the objects for name construction focused on the following polymers: mainchains that consist of acyclic chains and/or monocyclic rings, and each side chain consists of a single atom (except hydrogen) or a single ring system. The program has been developed as one of the basic functions of the Polymer Dictionary, which is a polymer registry system for the Polymer Database developed by the Japan Science and Technology Corporation. [ABSTRACT FROM AUTHOR]
Databáze: Library, Information Science & Technology Abstracts