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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DieFioHabCRAS98_Topology-based stereochemistry representation.pdf (569.93 Ko)
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