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scopus(2)
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:scopusQuBiLS-MAS, open source multi-platform software for atom- and bond-based topological (2D) and chiral (2.5D) algebraic molecular descriptors computations
ArticleAbstract: Background: In previous reports, Marrero-Ponce et al. proposed algebraic formalisms for characteriziPalabras claves:Atom/bond-based molecular descriptor, Bilinear and quadratic indices, Double stochastic, free and open source software, Linear, Mutual probability matrices, Non-stochastic, QSAR, QuBiLS-MAS, Simple stochastic, ToMoCoMD-CARDDAutores:César R. García-Jacas, Martinez-Mayorga K., Morell Pérez C., Pérez-Giménez F., Pham-The H., Stephen Jones Barigye, Valdés-Martiní J.R., Vaz D‘Almeida Y.S., Yovani Marrero-PonceFuentes:scopus