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Journal of Computational Chemistry(2)
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scopus(3)
Molecular quantum similarity analysis of estrogenic activity
ArticleAbstract: The main objective of this study was to evaluate the capability of 120 aromatic chemicals to bind toPalabras claves:Autores:Amat L., Cronin M.T.D., Ramón Carbö-D̈orca, Saliner A.G., Schultz T.W.Fuentes:scopusNotes on quantitative structure-properties relationships (QSPR) Part 2: The role of the number of atoms as a molecular descriptor
ArticleAbstract: A previous analysis performed, in our laboratory about the polynomial dependency of the atomic quantPalabras claves:Number of atoms as molecular descriptor, Ockham's razor principle, QQSPR, Quantum self-similarity measures, Quantum SimilarityAutores:Ramón Carbö-D̈orca, Saliner A.G.Fuentes:scopusModeling the structure-property relationships of nanoneedles: A journey toward nanomedicine
ArticleAbstract: Innovative biomedical techniques operational at the nanoscale level are being developed in therapeutPalabras claves:Carbon nanoneedle, Chemical hardness, Computational modeling, Electrophilicity, Nanomedicine, structure-property relationshipsAutores:Cavallo L., Poater A., Poater J., Ramón Carbö-D̈orca, Saliner A.G., Solà M., Worth A.P.Fuentes:scopus