Use of the international chemical identifier for constructing QSPR-model of normal boiling points of acyclic carbonyl substances

DOI10.1007/S10910-009-9574-9zbMath1197.92066OpenAlexW2035628200MaRDI QIDQ848159

Andrey A. Toropov, Alla P. Toropova, Jerzy Leszczynski, Danuta Leszczynska, Emilio Benfenati

Publication date: 2 March 2010

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-009-9574-9

zbMATH Keywords

tables QSPR acyclic carbonyl compounds InChI normal boiling point

Mathematics Subject Classification ID

Chemistry (92E99) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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