Deep-PK | Prediction Submission

Deep-PK deep learning for small molecule pharmacokinetic and toxicity prediction

Step 1: Please provide a set of molecules (via SDF or SMILES)

SMILES string:

Draw your own molecule and get its SMILES

OR

SDF / SMILES file (up to 2,000 molecules):

OR

Supplier Data Files (SDFs) [Click to Download Sample] must follow common standards.

SMILES files [Click to Download Sample] must have a header with the SMILES column.
SMILES are preferable in the canonical form.

Step 2: Fill your e-mail address (optional)

E-mail address (for sending a notice with the result link):

Step 3: Please choose a prediction mode

Use Deep-PK to assess your molecules considering ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) properties: