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Correlation analysis between predicted ADMET properties and anti-parasitic activity

NMTrypI - New Medicines for Trypanosomatidic Infections

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.

Submitter: Ina Poehner

Biological problem addressed: Model Analysis Type

Investigation: Pteridines as anti-kinetoplastid folate-pathway...

Study: In silico property and correlation analysis

Organisms: No organisms

Models: No Models

SOPs: No SOPs

Data files: Python module for calculating pairwise correlat...

Snapshots: No snapshots

Created: 19th Aug 2020 at 12:55, Last updated: 30th Sep 2020 at 10:03

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