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单词 Topological descriptor
释义

Topological descriptor

英语百科

Topological index

(重定向自Topological descriptor)
For topological index in mathematics, see Atiyah–Singer index theorem.

In the fields of chemical graph theory, molecular topology, and mathematical chemistry, a topological index also known as a connectivity index is a type of a molecular descriptor that is calculated based on the molecular graph of a chemical compound. Topological indices are numerical parameters of a graph which characterize its topology and are usually graph invariant. Topological indices are used for example in the development of quantitative structure-activity relationships (QSARs) in which the biological activity or other properties of molecules are correlated with their chemical structure.

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