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pkCSM

Pharmacokinetic properties

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Disclaimer


No molecule information will be retained on the system after being uploaded by the user.

Step 1: Please provide a set of molecules (SMILES format)
You can either upload your list of molecules in SMILES format OR provide a single SMILES string in the input box on the right.

" data-original-title="Data input">Description



Files are expected to have headers identifying the columns File size is limited to 100 SMILES.

" data-original-title="Data input">File limits

   OR



Example: CC(=O)OC1=CC=CC=C1C(=O)O

Step 2: Please choose the prediction mode
pkCSM have predictive models for different pharmacokinetic classes: Absorption, Distribution, Metabolism, Excretion and Toxicity. The option ADMET will run all predictions for all pharmakokinetic properties contemplated by pkCSM. For mode details on the predictive models please refer to the Theory page.

" data-original-title="Data input">Description

Prediction of pharmacokinetic properties