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Non-stochastic and stochastic linear indices of the 'molecular pseudograph's atom adjacency matrix': Application to 'in silico' studies for the rational discovery of new antimalarial compounds
ArticleAbstract: Malaria is one of the most deadly diseases, affecting million of people especially in developing couPalabras claves:Antimalarial compounds, Lda, Non-stochastic and stochastic linear indices, QSAR, ToMoCoMD-CARDD softwareAutores:García-Sánchez R.N., Mayón Peréz M., Montero-Torres A., Romero-Zaldivar C., Veitía Iyarreta M., Yovani Marrero-PonceFuentes:googlescopusPbkp_redictive modeling of aryl hydrocarbon receptor (AhR) agonism
ArticleAbstract: The aryl hydrocarbon receptor (AhR) plays a key role in the regulation of gene expression in metabolPalabras claves:Agonistic activity, Aryl hydrocarbon receptor, Benzothiazoles, Computational modeling, Coumarins, flavonoids, Polyphenols, QSAR, TriterpenesAutores:Giner R.M., Gozalbes R., Jorge E.G., Stephen Jones Barigye, Veitía Iyarreta M.Fuentes:scopus