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Article(3)
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Journal of Combinatorial Chemistry(1)
Journal of Computational Chemistry(1)
Molecular Informatics(1)
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scopus(3)
Desirability-based methods of multiobjective optimization and ranking for global QSAR studies. Filtering safe and potent drug candidates from combinatorial libraries
ArticleAbstract: Up to now, very few applications of multiobjective optimization (MOOP) techniques to quantitative stPalabras claves:Autores:Borges F., Cagide Fajin J.L., Cañizares-Carmenate Y., Dominguez E.R., Maykel Cruz-Monteagudo, Molina-Ruiz R., Morell Pérez C., Natalia Dias Soeiro Cordeiro M.Fuentes:scopusDesirability-based multiobjective optimization for global QSAR studies: Application to the design of novel NSAIDs with improved analgesic, antiinflammatory, and ulcerogenic profiles
ArticleAbstract: Up to now, very few reports have been published concerning the application of multiobjective optimizPalabras claves:chemoinformatics, Drug Discovery, Global QSAR, Multiobjective optimization, NSAIDS, Overall desirability function, Ulcerogenic indexAutores:Borges F., Maykel Cruz-Monteagudo, Natalia Dias Soeiro Cordeiro 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