Detail

Toxicity prediction from ADMET database

loganw_globusid/admet_tox
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Logan Ward

A suite of toxicity models created from the admetSAR database.

Python static method
drug design toxicology

Input

List of SMILES strings
Type: list

Output

Predictions of likelihood of toxicity. Values closer to 1 are more toxic
Type: dict

Run with DLHub SDK

from dlhub_sdk.client import DLHubClient
X = get_my_data() #replace this
dl = DLHubClient()
dl.run('loganw_globusid/admet_tox', X)

Get More Info with DLHub SDK

from dlhub_sdk.client import DLHubClient
dl = DLHubClient()
dl.describe_servable('loganw_globusid/admet_tox')

DLHub SDK Installation

pip install dlhub_sdk

DLHub SDK documentation