Novel global and local 3D atom-based linear descriptors of the Minkowski distance matrix: theory, diversity-variability analysis and QSPR applications

DOI10.1007/s10910-015-0533-3zbMath1328.92090OpenAlexW962445588WikidataQ56985005 ScholiaQ56985005MaRDI QIDQ893207

José R. Valdes-Martini, Harold Ariza-Rico, Ysaías J. Alvarado, Néstor Cubillán, César R. García-Jacas, Yovani Marrero-Ponce, Stephen J. Barigye

Publication date: 13 November 2015

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

Full work available at URL: https://doi.org/10.1007/s10910-015-0533-3

zbMATH Keywords

3D-linear indexQSPR studyTOMOCOMD-CARDDvariability analysis

Mathematics Subject Classification ID

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

Related Items (1)

LEGO-based generalized set of two linear algebraic 3D bio-macro-molecular descriptors: theory and validation by QSARs

Uses Software

• DRAGON
• ToMoCoMD-CARDD
• QuBiLs-MIDAS
• PowerMV

Cites Work

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• 3D-chiral (2.5) atom-based TOMOCOMD-CARDD descriptors: theory and QSAR applications to central chirality codification
• On the diagonal scaling of Euclidean distance matrices to doubly stochastic matrices
• Concerning nonnegative matrices and doubly stochastic matrices
• A Statistical View of Some Chemometrics Regression Tools
• Matrices
• A Relationship Between Arbitrary Positive Matrices and Doubly Stochastic Matrices

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