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

DOI10.1007/S10910-015-0533-3zbMATH Open1328.92090OpenAlexW962445588WikidataQ56985005 ScholiaQ56985005MaRDI QIDQ893207FDOQ893207

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

Recommendations

• Novel 2D TOMOCOMD-CARDD molecular descriptors: atom-based stochastic and non-stochastic bilinear indices and their QSPR applications
• LEGO-based generalized set of two linear algebraic 3D bio-macro-molecular descriptors: theory and validation by QSARs
• 3D-chiral (2.5) atom-based TOMOCOMD-CARDD descriptors: theory and QSAR applications to central chirality codification
• New spectral indices for molecule description
• A Novel Topological Descriptor Based on the Expanded Wiener index: Applications to QSPR/QSAR Studies

zbMATH Keywords

3D-linear indexQSPR studyTOMOCOMD-CARDDvariability analysis

Mathematics Subject Classification ID

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

Cites Work

• DRAGON software: an easy approach to molecular descriptor calculations
• Title not available (Why is that?)
• Concerning nonnegative matrices and doubly stochastic matrices
• A Relationship Between Arbitrary Positive Matrices and Doubly Stochastic Matrices
• Title not available (Why is that?)
• A Statistical View of Some Chemometrics Regression Tools
• Title not available (Why is that?)
• Matrices
• Title not available (Why is that?)
• Title not available (Why is that?)
• 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
• Title not available (Why is that?)

Cited In (2)

• 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

Uses Software

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

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

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q893207)