Topological characteristics of iterated line graphs in QSAR problem: Octane numbers of saturated hydrocarbons
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DOI: 10.1002/cem.3169
Abstract: Capabilities of line (edge) graph in quantitative structure‐activity relationship (QSAR) problem for constructing predictive models are demonstrated. The basic idea for proposed approach is to describe molecular structure using generated graph sequence: vertex and chain… read more here.
Keywords: line graphs; octane numbers; line; qsar problem ... See more keywords