TOPOLOGY-BASED STEREOCHEMISTRY REPRESENTATION

Authors
DIETZ A FIORIO C HABIB M LAURENCO C
Citation
A. Dietz et al., TOPOLOGY-BASED STEREOCHEMISTRY REPRESENTATION, COMPTES RENDUS DE L ACADEMIE DES SCIENCES SERIE II FASCICULE C-CHIMIE, 1(2), 1998, pp. 95-100
Citations number
13
Categorie Soggetti
Chemistry
Journal title
COMPTES RENDUS DE L ACADEMIE DES SCIENCES SERIE II FASCICULE C-CHIMIE → ACNP
ISSN journal
13871609
Volume
1
Issue
2
Year of publication
1998
Pages
95 - 100
Database
ISI
SICI code
1387-1609(1998)1:2<95:TSR>2.0.ZU;2-8
Abstract
We propose to use combinatorial maps as a non-geometric computer repre sentation of convex polyhedral and polygonal stereogenic entities. Thi s model is simple, uniform, and general. It allows to represent any re lative spatial arrangement of atoms (stereogenic entities, molecular s hapes, etc.). (C) Academie des Sciences/Elsevier, Paris.