Documentos de Saliner A.G. | REDI

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Área temáticas: "Química orgánica"

Subtipo de publicación

Publisher

Journal of Chemical Information and Computer Sciences(1)

Journal of Computational Chemistry(1)

Área temáticas

Química analítica(1)

Química física(1)

Área de conocimiento

Relación cuantitativa estructura-actividad(2)

Química general(1)

Año de Publicación

Origen

Palabras Claves

Number of atoms as molecular descriptor(1)

Ockham's razor principle(1)

Quantum Similarity(1)

Quantum self-similarity measures(1)

Molecular quantum similarity analysis of estrogenic activity

Abstract: The main objective of this study was to evaluate the capability of 120 aromatic chemicals to bind to

Palabras claves:

Amat L., Cronin M.T.D., Ramón Carbö-D̈orca, Saliner A.G., Schultz T.W.

Notes on quantitative structure-properties relationships (QSPR) Part 2: The role of the number of atoms as a molecular descriptor

Abstract: A previous analysis performed, in our laboratory about the polynomial dependency of the atomic quant

Palabras claves:

Number of atoms as molecular descriptor, Ockham's razor principle, QQSPR, Quantum self-similarity measures, Quantum Similarity

Ramón Carbö-D̈orca, Saliner A.G.