Topology-based stereochemistry representation - LIRMM - Laboratoire d’Informatique, de Robotique et de Microélectronique de Montpellier
Journal Articles Comptes rendus de l’Académie des sciences. Série IIc, Chimie Year : 1998

Topology-based stereochemistry representation

Abstract

We propose to use combinarorial maps as a non-geometric computer representation of convex polyhedral and polygonal stereogenic entities. 'This model is simple, uniform, and general. It allows to represent any relative spatial arrangement of atoms (stereogenic entities, molecular shapes, etc.).

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Discrete Mathematics [cs.DM]
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Submitted on : Thursday, June 25, 2015-9:41:38 AM

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lirmm-01167951 , version 1 (25-06-2015)

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Andreas Dietz, Christophe Fiorio, Michel Habib, Claude Lorenço. Topology-based stereochemistry representation. Comptes rendus de l’Académie des sciences. Série IIc, Chimie, 1998, 1 (II), pp.95-100. ⟨10.1016/S1251-8069(97)86267-7⟩. ⟨lirmm-01167951⟩

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