SYNthesis LIBrary, an expert system for chemical‐reaction knowledge‐base management
- 1 January 1992
- journal article
- research article
- Published by Wiley in Recueil des Travaux Chimiques des Pays-Bas
- Vol. 111 (6) , 247-254
- https://doi.org/10.1002/recl.19921110602
Abstract
SYNLIB (SYNthesis LIBrary) is an expert system which allows laboratory scientists to rapidly and interactively search databases of chemical reaction information. SYNLIB is fully supported on personal computer and RISC workstation platforms and requires minimal computer expertise on the part of the chemist. By encouraging hands‐on access to information, SYNLIB allows complex chemical synthesis concepts to be presented directly to the practicing laboratory scientist. SYNLIB searching enables the user to query chemical reaction knowledge bases for matches to combinations of structural and non‐structural chemical questions. We discuss the design considerations for expert systems specifically for chemists and present an analysis of the chemical‐reaction information available from the published literature. A search for the formation chemistry of functionalized α,β‐unsaturated ketones is used to illustrate the search strategies available.Keywords
This publication has 37 references indexed in Scilit:
- Chemical reaction searching compared in REACCS, SYNLIB, and ORACJournal of Chemical Information and Computer Sciences, 1988
- The Evaluation of an Automatically Indexed, Machine-Readable Chemical Reactions FileJournal of Chemical Information and Computer Sciences, 1980
- The Chemical Abstracts Service Chemical Registry System. VI. Substance-Related StatisticsJournal of Chemical Information and Computer Sciences, 1980
- A Structural Molecular Formula for Flexible and Efficient Substructure Searching of Large DatabasesJournal of Chemical Information and Computer Sciences, 1978
- The Automatic Detection of Chemical Reaction SitesJournal of Chemical Information and Computer Sciences, 1978
- The Chemical Abstracts Service Chemical Registry System. I. General DesignJournal of Chemical Information and Computer Sciences, 1976
- An Efficient Design for Chemical Structure Searching. I. The ScreensJournal of Chemical Information and Computer Sciences, 1975
- A System for the Documentation of Chemical ReactionsAngewandte Chemie International Edition in English, 1970
- Substructure Search in the MCC SystemJournal of Chemical Documentation, 1968
- The Generation of a Unique Machine Description for Chemical Structures-A Technique Developed at Chemical Abstracts Service.Journal of Chemical Documentation, 1965