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scopus(3)
Coulomb and overlap self-similarities: A comparative selectivity analysis of structure-function relationships for auxin-like molecules
ArticleAbstract: Auxins are defined mainly by a set of physiological actions, but the structure-effect relationship sPalabras claves:Autores:Bultinck P., Ferro N., Gallegos A., Jacobsen H.J., Ramón Carbö-D̈orca, Reinard T.Fuentes:scopusUnrevealed structural requirements for auxin-like molecules by theoretical and experimental evidences
ArticleAbstract: An computational-biostatistical approach, supported by ab initio optimizations of auxin-like moleculPalabras claves:auxin, Molecular quantum similarity measures, Plant growth regulation, Structure-activity relationshipAutores:Bultinck P., Ferro N., Gallegos A., Jacobsen H.J., Ramón Carbö-D̈orca, Reinard T.Fuentes:scopusStructure-toxicity relationships of polycyclic aromatic hydrocarbons using molecular quantum similarity
ArticleAbstract: The establishment of quantitative structure-activity relationship (QSAR) models for the toxicity ofPalabras claves:Atomic Shell Approximation (ASA) density functions, Carcinogenic activity, Molecular quantum similarity measures (MQSM), Percutaneous absorption, Polycyclic aromatic hydrocarbons (PAHs), Quantitative structure-activity relationships (QSAR)Autores:Gallegos A., Gironés X., Ramón Carbö-D̈orca, Robert D.Fuentes:scopus