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

DOI10.1007/S10910-015-0533-3MaRDI QIDQ893207zbMATH OpenOpenAlexWikidataFDO

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

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)

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Cites work

• 3D-chiral (2.5) atom-based TOMOCOMD-CARDD descriptors: theory and QSAR applications to central chirality codification
• A Relationship Between Arbitrary Positive Matrices and Doubly Stochastic Matrices
• A Statistical View of Some Chemometrics Regression Tools
• Concerning nonnegative matrices and doubly stochastic matrices
• DRAGON software: an easy approach to molecular descriptor calculations
• scientific article; zbMATH DE number 590688 (Why is no real title available?)
• scientific article; zbMATH DE number 1065062 (Why is no real title available?)
• scientific article; zbMATH DE number 194544 (Why is no real title available?)
• scientific article; zbMATH DE number 805007 (Why is no real title available?)
• scientific article; zbMATH DE number 843258 (Why is no real title available?)
• scientific article; zbMATH DE number 5224144 (Why is no real title available?)
• Matrices
• On the diagonal scaling of Euclidean distance matrices to doubly stochastic matrices

Cited in

(3)

• LEGO-based generalized set of two linear algebraic 3D bio-macro-molecular descriptors: theory and validation by QSARs
• Novel 2D TOMOCOMD-CARDD molecular descriptors: atom-based stochastic and non-stochastic bilinear indices and their QSPR applications
• 3D-chiral (2.5) atom-based TOMOCOMD-CARDD descriptors: theory and QSAR applications to central chirality codification

Describes a project that uses

Uses Software

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

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