Parameter-free linear relationship (PFLR) and its application to 3D QSAR

DOI10.1007/s10910-008-9348-9zbMath1302.92144OpenAlexW1980552571MaRDI QIDQ2271170

Ödön Farkas, Adrián Kalászi, Imre Jákli, Gábor Imre

Publication date: 6 August 2009

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

Full work available at URL: https://doi.org/10.1007/s10910-008-9348-9

zbMATH Keywords

partial least squareslinear regressionmultidimensional interpolationPLSlinear relationshipQSPRparameter-free3D QSARPFLR

Mathematics Subject Classification ID

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

Uses Software

• Marvin

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