COMPUTERIZED STEREOCHEMISTRY - CODING AND NAMING CONFIGURATIONAL STEREOISOMERS

Authors
RAZINGER M PERDIH M
Citation
M. Razinger et M. Perdih, COMPUTERIZED STEREOCHEMISTRY - CODING AND NAMING CONFIGURATIONAL STEREOISOMERS, Journal of chemical information and computer sciences, 34(2), 1994, pp. 290-296
Citations number
25
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
34
Issue
2
Year of publication
1994
Pages
290 - 296
Database
ISI
SICI code
0095-2338(1994)34:2<290:CS-CAN>2.0.ZU;2-8
Abstract
Several methods for computer generation of binary codes representing a ll possible configurational isomers of a given structure have been dev eloped in past years. The problem of finding descriptors for naming th e generated stereoisomers is not yet completely solved. Established sy stems for obtaining stereoisomer names are not very well adapted to co mputer use. An attempt to find descriptors, easily obtainable from the computer-generated parity vectors and as similar to the well establis hed Cahn-Ingold-Prelog descriptors as possible, is described.