A topological-mathematical model has been arranged to search for new derivatives of 3,5-dinitrobenzene sulphonamide and/or benzamide, active against L. donovani. By using linear discriminant analysis as well as multilinear regression, a model capable to identify the activity of 90% of the analyzed compounds has been achieved. After carrying out a virtual screening based upon such a model, new structures potentially active against the parasite are proposed.Key Words: Leishmania, Linear discriminant analysis, Multilinear regression analysis, topological descriptors.Se ha desarrollado un modelo topológico-matemático encaminado a buscar nuevos compuestos derivados del 3,5 dinitrobenceno sulfonamida y/o benzamida activos frente a Leishmania. Utilizando el análisis lineal discriminante y el análisis de regresión multilineal se ha obtenido un modelo capaz de identificar la actividad del 90% de los compuestos estudiados. Tras realizar un barrido virtual se proponen nuevas estructuras potencialmente activas frente a L. donovani.Palabras clave: Leishmania, Análisis lineal discriminante, Análisis de regresión multilineal, índices topológicos