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In silico property and correlation analysis

NMTrypI - New Medicines for Trypanosomatidic Infections

Computational prediction of physicochemical and advanced descriptors related to ADME-Tox and PAINS assessment. Potential correlations of the computed descriptors with experimentally determined anti-parasitic activities and correlations between experimentally determined levels of target protein inhibition (PTR1, DHFR) with the anti-parasitic activity were also studied.

Submitter: Ina Poehner

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

Assays: Correlation analysis between PTR1 and DHFR activities and anti-parasitic..., Correlation analysis between predicted ADMET properties and anti-parasit..., In silico ADMET data prediction, PAINS filtering

Snapshots: No snapshots

Created: 19th Aug 2020 at 11:17, Last updated: 30th Sep 2020 at 10:03

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