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A new insight on the quantum quantitative structure-properties relationships
Conference ObjectAbstract: The theoretical basis of quantum Quantitative Structure-Properties Relationship (QSPR) is analyzed.Palabras claves:Cramer steroids, Fundamental QQSPR equation, QQSPR algorithms, QQSPR operators, quantum QSPR, Quantum SimilarityAutores:Ramón Carbö-D̈orca, Van Damme S.Fuentes:scopusGeneralized polansky index as an aromaticity measure in polycyclic aromatic hydrocarbons
Conference ObjectAbstract: In this work, the ideas of molecular quantum similarity are used to generalize the Polansky similariPalabras claves:Aromaticity, NOEL, Polansky, Quantum SimilarityAutores:Bultinck P., Fias S., Gallegos A., Ponec R., Ramón Carbö-D̈orca, Van Damme S.Fuentes:scopusRiemann spaces, molecular density function semispaces, quantum similarity measures and quantum quantitative structure-properties relationships (QQSPR)
ArticleAbstract: The computational behavior of the molecular properties estimation by means of the fundamental quantuPalabras claves:Density Riemann 3D spaces, quantum QSPR, Quantum Similarity, Similarity matricesAutores:Ramón Carbö-D̈orca, Van Damme S.Fuentes:scopus