Application of a novel ranking approach in QSPR-QSAR

DOI10.1007/S10910-006-9214-6zbMATH Open1195.92071OpenAlexW2034458567MaRDI QIDQ937607

Pablo R. Duchowicz, Francisco M. Fernández, Eduardo A. Castro

Publication date: 15 August 2008

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

Full work available at URL: https://doi.org/10.1007/s10910-006-9214-6

zbMATH Keywords

molecular descriptornormal boiling pointPartial Order RankingQSPR-QSAR

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Computational methods for problems pertaining to biology (92-08) Software, source code, etc. for problems pertaining to biology (92-04)

Cites Work

• QSPR modeling of the enthalpy of formation based on partial order ranking
• The Predictive Sample Reuse Method with Applications
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Related Items (3)

Title not available (Why is that?) ⋮ A Novel Topological Descriptor Based on the Expanded Wiener index: Applications to QSPR/QSAR Studies ⋮ Title not available (Why is that?)

Uses Software

• HyperChem
• Title not available (Why is that?)

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