Determination of unknown molecular properties in molecular spaces

DOI10.1007/S10910-021-01305-8MaRDI QIDQ2118776zbMATH OpenOpenAlexFDO

Authors R. Carbó-Dorca

Publication date 23 March 2022

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

Full work available at URL https://doi.org/10.1007/s10910-021-01305-8

zbMATH Keywords

evaluation of unknown molecular propertiesmolecular gram matricesmolecular spaceparameter or descriptor spaceQSARQSPRquantum QSPRquantum similaritysimilarity matrix

Mathematics Subject Classification ID

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

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Cites work

• About the concept of chemical space: a \textit{concerned} reflection on some trends of modern scientific thought within theoretical chemical lore
• Cantor-like transfinite sequences and Gödel-like incompleteness revealed by means of Mersenne transfinite dimensional Boolean hypercube concatenation
• Least squares estimation of unknown molecular properties and quantum QSPR fundamental equation

Cited in

(7)

• The determination of point groups from imprecise molecular geometries
• Tracing molecular properties throughout evolution: a chemoinformatic approach
• Quantum similarity and QSPR in Euclidean-, and Minkowskian-Banach spaces
• scientific article; zbMATH DE number 1890114 (Why is no real title available?)
• Least squares estimation of unknown molecular properties and quantum QSPR fundamental equation
• A central partition of molecular conformational space. III. Combinatorial determination of the volume spanned by a molecular system
• QSPR in molecular spaces: ordering data, \{de- \& re-\} constructing molecular similarity matrices, building their isometric vectors defining statistical-like momenta of molecular polyhedra, and analyzing the structure of a quantum QSPR operator

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