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Using molecular quantum similarity measures as descriptors in quantitative structure-toxicity relationships.
ArticleAbstract: In this paper molecular quantum similarity measures (MQSM) are used to describe molecular toxicity aPalabras claves:Autores:Amat L., Gironés X., Ramón Carbö-D̈orcaFuentes:scopusQuantum similarity approach to the characterization of molecular chirality
ArticleAbstract: In this paper we report the application of quantum similarity measures as a new means of quantitativPalabras claves:Chirality measures, Molecular shape analysis, QShAR, Quantum holography, Quantum similarity measuresAutores:Amat L., Mezey P., Ponec R., Ramón Carbö-D̈orcaFuentes:scopusThree-dimensional quantitative structure - Activity relationships from tuned molecular quantum similarity measures: Pbkp_rediction of the corticosteroid-binding globulin binding affinity for a steroid family
ArticleAbstract: Pbkp_redictive models based on tuned molecular quantum similarity measures and their application toPalabras claves:Autores:Amat L., Ramón Carbö-D̈orca, Robert D.Fuentes:scopus