Use ADMET-AI
Official Neurosnap webserver for accessing ADMET-AI online.
Overview
ADMET-AI is a machine learning model designed to predict Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) properties of chemical compounds. Utilizing a graph neural network architecture, Chemprop-RDKit, trained on 41 datasets from the Therapeutics Data Commons, ADMET-AI offers rapid and accurate evaluations of large-scale chemical libraries. It provides a user-friendly web interface for batch predictions, facilitating efficient drug discovery processes.
Neurosnap Overview
The ADMET-AI online webserver allows anybody with a Neurosnap account to run and access ADMET-AI, no downloads required. Information submitted through this webserver is kept confidential and never sold to third parties as detailed by our strong Terms of Use and Privacy Policy.
Features
- Employs Chemprop-RDKit, a graph neural network architecture, for precise ADMET property predictions.
- Trained on 41 ADMET datasets from the Therapeutics Data Commons, ensuring comprehensive coverage.
- Outperforms existing ADMET prediction tools in both speed and accuracy.
- Provides contextualized predictions by comparing results with a reference set of approved drugs.
Statistics
Neurosnap periodically calculates runtime statistics based on job execution data. These estimates provide a general guideline for how long your job may take, but actual runtimes can vary significantly depending on factors like input size or settings used.
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API Request
Access ADMET-AI using the Neurosnap API by sending a request using any programming language with HTTP support. To safely generate an API key, visit the API tab of your overview page.
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Job Note
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Inputs & Configuration
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