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An Integrated drug development approach applying topological descriptors
ArticleAbstract: We describe the opportunities posed by computer-assisted drug design in the light of two aspects ofPalabras claves:ADMET filters, Classifiers, drug repurposing, Linear models, QSAR, Replacement method, Topological descriptors, Virtual ScreeningAutores:Bellera C.L., Bruno-Blanch L.E., Castro E.A., Di Ianni M., Pablo R. Duchowicz, Talevi A.Fuentes:scopusEnsemble learning application to discover new trypanothione synthetase inhibitors
ArticleAbstract: Trypanosomatid-caused diseases are among the neglected infectious diseases with the highest diseasePalabras claves:Chagas disease, ensemble learning, Machine learning, QSAR, TRYPANOSOMA CRUZI, Trypanothione synthetaseAutores:Alice J.I., Bellera C.L., Benítez D., Comini M.A., Pablo R. Duchowicz, Talevi A.Fuentes:scopus