Universal transformation and non-linear connection between experimental and calculated property vectors in QSPR

DOI10.1007/s10910-019-01009-0zbMath1414.92224OpenAlexW2912902371WikidataQ62511052 ScholiaQ62511052MaRDI QIDQ2419218

Ramon Carbó-Dorca

Publication date: 29 May 2019

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

Full work available at URL: https://doi.org/10.1007/s10910-019-01009-0

zbMATH Keywords

QSARQSPRquantum QSPRCramer steroid setexperimental-calculated QSPR vectors non-linear relationshipfeature scalingmolecular space QSPRQSTRuniversal transformation of QSPR vectors

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Related Items (4)

Vector spaces defined over the unit interval ⋮ Transformation of Boolean hypercube vertices into unit interval elements: QSPR workout consequences ⋮ Quantum similarity and QSPR in Euclidean-, and Minkowskian-Banach spaces ⋮ Extension of Fermat's last theorem in Minkowski natural spaces

Uses Software

• Grapher

Cites Work

• A study on Goldbach conjecture
• Multimolecular polyhedra and QSPR
• Least squares estimation of unknown molecular properties and quantum QSPR fundamental equation
• An isometric representation problem in quantum multimolecular polyhedra and similarity
• An isometric representation problem in quantum multimolecular polyhedra and similarity: II: Synisometry
• Quantum similarity and discrete representation of molecular sets
• Centroid origin shift of quantum object sets and molecular point clouds description and element comparisons
• Quantum similarity matrices column set as holograms of DF molecular point clouds
• Quantum polyhedra, definitions, statistics and the construction of a collective quantum similarity index

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