A COMPACT CODE FOR CHEMICAL-STRUCTURE STORAGE AND RETRIEVAL

Authors
STROKOV I
Citation
I. Strokov, A COMPACT CODE FOR CHEMICAL-STRUCTURE STORAGE AND RETRIEVAL, Journal of chemical information and computer sciences, 35(6), 1995, pp. 939-944
Citations number
19
Categorie Soggetti
Information Science & Library Science","Computer Application, Chemistry & Engineering","Computer Science Interdisciplinary Applications",Chemistry,"Computer Science Information Systems
Journal title
Journal of chemical information and computer sciences → ACNP
ISSN journal
00952338
Volume
35
Issue
6
Year of publication
1995
Pages
939 - 944
Database
ISI
SICI code
0095-2338(1995)35:6<939:ACCFCS>2.0.ZU;2-D
Abstract
Two modifications of a linear tree-like code for efficient structure h andling have been proposed. Each symbol of the code corresponds to one edge of a graph, traversed in a deep-first or wide-first order. The c ode facilitates compact storage of structure formulas, fast substructu re search, and similarity search. The usage of the code is illustrated on a sample collection of 50 000 structures.