About

PKSmart is an open-source app framework designed specifically for predicting human and animal pharmacokinetic (PK) parameters.

PKSmart allows users to:

  • Predict single molecule PK properties with detailed analysis.
  • Submit bulk jobs for batch processing of compound SMILES.

PKSmart integrates advanced data-driven approaches and chemical space comparisons to training data for enhanced PK predictions.

For referencing PKSmart, please cite:
Seal et al. Predicting Human and Animal Pharmacokinetic Properties Using PKSmart, bioRxiv, https://www.biorxiv.org/content/10.1101/2024.02.02.578658v1.

~1,000

compounds analyzed for PK properties, covering experimental and approved drugs.

4+

species integrated predictions.

100%

open-source framework supporting both single and batch PK predictions.

PKSmart Schema