On the Classification of Pairwise Relations Between Isomeric Structures

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Abstract
The conventional classification of pairwise relations between structures of equal atomic composition gives primacy to the notion of constitution. It is asserted that a complete and edge‐weighted molecular graph is a more faithful representation of bonding relationships than a constitutional graph. A scheme is proposed, rooted in geometric rather than topological qualities of the model, which is well attuned to the distinguishing characteristics of isomeric pairs, and in which pairwise relations are classified as isometric (homomers, enantiomers) and anisometric (diastereomers, constitutional isomers). This classification is extended to topic relationships.

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