Browsing Investigaciones by Author "García Bernal M."

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    • QuBiLs-MAS method in early drug discovery and rational drug identification of antifungal agents 

      Medina Marrero R.; Marrero-Ponce Y.; Barigye S.J.; Echeverría Díaz Y.; Acevedo-Barrios R.; Casañola-Martín G.M.; García Bernal M.; Torrens F.; Pérez-Giménez F. (Taylor and Francis Ltd., 2015)
      The QuBiLs-MAS approach is used for the in silico modelling of the antifungal activity of organic molecules. To this effect, non-stochastic (NS) and simple-stochastic (SS) atom-based quadratic indices are used to codify ...