A COLLECTION OF ALGORITHMS FOR SEARCHING CHEMICAL COMPOUND STRUCTURE ANALOGS
Abstract
Some of the requirements of a computer system for searching chemical compound structure analogs are reviewed and algorithms are offered where appropriate. Among the factors discussed are file organization and data elements, the use of screens, the question of maximum query volume of a single pass of a master file, and the question of canonical ordering of finite undirected graphs to permit the determination of isomorphism between graphs.
Document Details
- Document Type
- Technical Report
- Publication Date
- Nov 30, 1964
- Accession Number
- AD0460819
Entities
People
- John B. Burger
- William J. Wilson
Organizations
- General Electric