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Complementary Quantitative Structure–Activity Relationship Models for the Antitrypanosomal Activity of Sesquiterpene Lactones

Three complementary quantitative structure–activity relationship (QSAR) methodologies, namely, regression modeling based on (i) “classical” molecular descriptors, (ii) 3D pharmacophore features, and (iii) 2D molecular holograms (HQSAR) were employed on the antitrypanosomal activity of sesquiterpene...

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Detalles Bibliográficos
Autores principales: Kimani, Njogu M., Matasyoh, Josphat C., Kaiser, Marcel, Nogueira, Mauro S., Trossini, Gustavo H. G., Schmidt, Thomas J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6321053/
https://www.ncbi.nlm.nih.gov/pubmed/30467296
http://dx.doi.org/10.3390/ijms19123721