Automatic Naming System for Organic Compounds Based on Knowledge-base.

1994 Fiscal Year Final Research Report Summary

• Project/Area Number: 05680312
• Research Category: Grant-in-Aid for General Scientific Research (C)
• Allocation Type: Single-year Grants
• Research Field: 情報システム学(含情報図書館学)
• Research Institution: Toyohashi University of Technology
• Principal Investigator: ABE Hidetsugu Toyohashi University of Technology, Faculty of Engineering, Professor, 工学部, 教授 (00006470)
• Project Period (FY): 1993 – 1994
• Keywords: Nomenclature / IUPAC / Knowledge-base / 自動変換

Research Abstract

This research aims to develop an intelligent computer program system for naming of organic compounds. The names given by this system are IUPAC authentic names. The system consist of three major programs, they are, graphical structure input program, structure-name conversion program and knowledge-base for the conversion. As is known well, chemists can name most of organic compounds by referring IUPAC nomenclature rules. Unfortunately, the rules are so complicated and tedious that very few chemists can name their compounds correctly. The planned system will overcome this difficulty.
We have made six subsystems for the proposed system ;
1. Graphic input program including conversion program for structural formulas to connection tables.
2. Knowledge-base for functional groups and rings with specific names.
3. Ring perception program for dividing structural formura into rings and chains.
4. Naming of aromatic, heterocyclic, and alicyclic rings.
5. Knowledge-base for chain nomenclature.
6. Program for construction of complete manes.