Correlation analysis between predicted ADMET properties and anti-parasitic activity

Assessment of possible linear correlations between predicted ADMET descriptors from QikProp (Schrödinger, LLC, New York, NY) runs and experimentally determined activities against T. brucei brucei bloodstream forms with the help of a Python script.


Modelling analysis

Ina Poehner

Projects: NMTrypI - New Medicines for Trypanosomatidic Infections

Investigation: Pteridines as anti-kinetoplastid folate-pathway protein inhibitors

Study: In silico property and correlation analysis

Assay position:

Biological problem addressed: Model Analysis Type

Organisms: No organisms

help Creators and Submitter

Views: 890

Created: 19th Aug 2020 at 12:55

Last updated: 30th Sep 2020 at 10:03

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