Quantum similarity and discrete representation of molecular sets

DOI10.1007/s10910-011-9841-4zbMath1227.92053OpenAlexW2161402679WikidataQ62511166 ScholiaQ62511166MaRDI QIDQ645162

Ramon Carbó-Dorca, Luz Dary Mercado

Publication date: 8 November 2011

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

Full work available at URL: https://doi.org/10.1007/s10910-011-9841-4

zbMATH Keywords

quantum objectsmolecular descriptorsquantum QSPRCramer steroid setKruskal treesmolecular QS tensorsordering of molecular sets

Mathematics Subject Classification ID

Probabilistic models, generic numerical methods in probability and statistics (65C20) Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Uses Software

• GAUSSIAN

Cites Work

• Shells, point cloud huts, generalized scalar products, cosines and similarity tensor representations in vector semispaces
• Molecular quantum similarity measures in Minkowski metric vector semispaces
• Quantum similarity, volume functions and generalized Carbó indices
• Nonlinear terms \& variational approach in quantum QSPR
• Definition of norm coherent generalized scalar products and quantum similarity
• Tagged sets, convex sets and quantum similarity measures
• On quantum molecular similarity measures (QMSM) and indices (QMSI)
• Fuzzy sets and Boolean tagged sets
• Shell partition and metric semispaces: Minkowski norms, root scalar products, distances and cosines of arbitrary order
• A mathematical discussion on density and shape functions, vector semispaces and related questions
• Unnamed Item

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