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Chemical Biology and Drug Design(1)
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scopus(3)
Desirability-based multi-criteria virtual screening of selective antimicrobial cyclic β-hairpin Cationic Peptidomimetics
ArticleAbstract: Today, emerging and increasing resistance to antibiotics has become a threat to public health worldwPalabras claves:Antimicrobial peptides, chemoinformatics, Desirability theory, Desirability-cbkp_redibility-similarity score (DCS score), Multicriteria QSAR, Virtual ScreeningAutores:Borges F., Maykel Cruz-Monteagudo, Natalia Dias Soeiro Cordeiro M., Romero Y.Fuentes:scopusDesirability-based multi-objective QSAR in drug discovery
ReviewAbstract: The adjustment of multiple criteria in hit-to-lead identification and lead optimization is a major aPalabras claves:Desirability theory, Drug Discovery, MOOP-DESIRE methodology, Multi-objective QSARAutores:Borges F., Dominguez E.R., Eduardo Tejera, Maykel Cruz-Monteagudo, Natalia Dias Soeiro Cordeiro M.Fuentes:scopusMultidimensional 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:scopus