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

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