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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...
Autores principales: | Kimani, Njogu M., Matasyoh, Josphat C., Kaiser, Marcel, Nogueira, Mauro S., Trossini, Gustavo H. G., Schmidt, Thomas J. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2018
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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 |
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