QSPR modeling of the enthalpy of formation based on partial order ranking
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Publication:2485904
DOI10.1007/s10910-004-1110-3zbMath1065.92069MaRDI QIDQ2485904
Pablo R. Duchowicz, Francisco M. Fernández, Eduardo A. Castro
Publication date: 5 August 2005
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: http://sedici.unlp.edu.ar/handle/10915/130947
least squares method; enthalpy of formation from elements; flexible descriptor; partial order ranking; QSPR-QSAR theory
92E10: Molecular structure (graph-theoretic methods, methods of differential topology, etc.)
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