submit_admet_workflow
Predict drug-like properties and pharmacokinetic behavior for molecules using ADMET-AI to assess absorption, distribution, metabolism, excretion, and toxicity early in drug discovery.
Instructions
Submit an ADMET workflow to predict drug-like properties using ADMET-AI.
Args: initial_molecule: SMILES string representing the molecule name: Workflow name for identification and tracking folder_uuid: UUID of folder to organize this workflow. Empty string uses default folder. max_credits: Maximum credits to spend on this calculation. 0 for no limit.
ADMET (Absorption, Distribution, Metabolism, Excretion, Toxicity) predictions help assess drug-likeness and pharmacokinetic properties of molecules early in the drug discovery process.
Uses the ADMET-AI model to predict various pharmacokinetic properties automatically.
Returns: Workflow object representing the submitted workflow
Examples: # Predict ADMET properties for aspirin result = submit_admet_workflow( initial_molecule="CC(=O)Nc1ccc(O)cc1", name="Aspirin ADMET" )
# Predict ADMET properties for caffeine
result = submit_admet_workflow(
initial_molecule="CN1C=NC2=C1C(=O)N(C(=O)N2C)C",
name="Caffeine ADMET"
)Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| initial_molecule | Yes | SMILES string of the molecule for ADMET property prediction | |
| name | No | Workflow name for identification and tracking | ADMET Workflow |
| folder_uuid | No | UUID of folder to organize this workflow. Empty string uses default folder | |
| max_credits | No | Maximum credits to spend on this calculation. 0 for no limit |