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Multidimensional drug design: Simultaneous analysis of binding and relative efficacy profiles of n<sup>6</sup>-substituted-4′-thioadenosines A <inf>3</inf> adenosine receptor agonists
ArticleAbstract: Desirability theory (DT) is a well-known multi-criteria decision-making approach. In this work, DT iPalabras claves:A adenosine receptor agonists 3, Belief theory, chemoinformatics, Desirability theory, Drug Discovery, Ligand-based virtual screening, Simultaneous analysisAutores:Borges F., Maykel Cruz-Monteagudo, Natalia Dias Soeiro Cordeiro M., Perez González M., Teijeira M.Fuentes:scopusPrioritizing hits with appropriate trade-offs between HIV-1 reverse transcriptase inhibitory efficacy and MT4 blood cells toxicity through desirability-based multiobjective optimization and ranking
ArticleAbstract: Nonnucleoside reverse transcriptase (RT) inhibitors (NNRTIs) constitute a promising therapeutic optiPalabras claves:Drug Discovery, HIV-1, Multiobjective optimization, NNRTI, Virtual ScreeningAutores:Borges F., Maykel Cruz-Monteagudo, Natalia Dias Soeiro Cordeiro M., The H.Fuentes:scopus