Accession Number:

AD0460826

Title:

RAPID STRUCTURE SEARCHES VIA PERMUTED CHEMICAL LINE-NOTATIONS (III): A COMPUTER-PRODUCED INDEX

Descriptive Note:

Technical memo. Jun 1963-Oct 1964

Corporate Author:

CHEMICAL RESEARCH AND DEVELOPMENT LABS EDGEWOOD ARSENAL MD

Personal Author(s):

• Granito, Charles E.
• Schultz, John E.
• Gibson, Gerald W.
• Gelberg, Alan
• Williams, R. J.
• Metcalf, Edward A.

Report Date:

1965-02-01

Pagination or Media Count:

28.0

Abstract:

This is the third paper in a series concerned with the use of the Wiswesser line-notation as the basis of a storage and retrieval system for organic structures. This line-notation is an unique and unambiguous method of representing chemical structures by a linear series of letters, numbers, ampersands, and hyphens. The uniqueness of the notation permits the use of an alpha-numerically arranged index of the permutations of the notation for structure searching. The present paper discusses the preparation of a computer- prepared index of permuted Wiswesser line-notations from the standpoint of the cost, time, and logic of the computer program. The entire cost of preparing such an index of 50,000 structures, i.e., writing and proofing the notations, punching and verifying the punchcards, card and paper costs, rental, and program preparation, is somewhat less than 12,000. The uses, limitations, and methods of further increasing the utility of this powerful and economical retrieval tool by the inclusion of biological, source, cost, and other types of data are also presented.

Descriptors:

• *INFORMATION RETRIEVAL
• *CHEMICAL COMPOUNDS
• SYSTEMS ENGINEERING
• COMPUTERS
• INDEXES
• SEARCH THEORY
• PERMUTATIONS
• MOLECULAR STRUCTURE
• COSTS

Subject Categories:

• Organic Chemistry
• Information Science

Distribution Statement:

APPROVED FOR PUBLIC RELEASE