Determination of unknown molecular properties in molecular spaces

DOI10.1007/s10910-021-01305-8OpenAlexW3216264114MaRDI QIDQ2118776

Ramon 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

QSARquantum similarityQSPRquantum QSPRsimilarity matrixmolecular spaceevaluation of unknown molecular propertiesmolecular gram matricesparameter or descriptor space

Mathematics Subject Classification ID

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

Related Items

Quantum similarity and QSPR in Euclidean-, and Minkowskian-Banach spaces

Cites Work

• Least squares estimation of unknown molecular properties and quantum QSPR fundamental equation
• 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