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Limitaciones del valor DeltaV para la diferenciación del ambiente químico molecular
(Universidad Nacional de Colombia, Facultad de Ciencias, Departamento de QuímicaAnálisis de ResiduosBogotá, Colombia, 2022)
QSAR Classification of Anticancer Heterocyclichydrazones with Reactivity Descriptors
(IGI GLOBAL, 2021-01)
In this study, validated PLS-DA models that discriminate heterocyclichydrazones with potentanticancer activity (GI50/IC50<50x10-6M) from those with low activity (GI50/IC50>=50x10-6M) against the cancer cell lines HCT-116 ...
Structure- and Ligand-Based Structure-Activity Relationships for a Series of Inhibitors of Aldolase
(BENTHAM SCIENCE PUBL LTDSHARJAH, 2012)
Aldolase has emerged as a promising molecular target for the treatment of human African trypanosomiasis. Over the last years, due to the increasing number of patients infected with Trypanosoma brucei, there is an urgent ...
Quantitative-structure-activity relationship study to predict the antifungal activity of essential oils against Fusarium verticillioides
(Elsevier, 2020-02)
Fusarium verticillioides is the principal fungal pathogen affecting corn maize both in the field and/or during grain storage. The efficiency of essential oils (EOs) as antifungals has been well established against many ...
Insights into the Molecular Requirements for the Anti-obesity Activity of a Series of CB1 Ligands
(WILEY-BLACKWELL, 2010)
Two-dimensional and 3D quantitative structure-activity relationships studies were performed on a series of diarylpyridines that acts as cannabinoid receptor ligands by means of hologram quantitative structure-activity ...