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ADME-Tox

The ADME-Tox module uses a multi-tasking GCN AI model to predict up to 88 ADMET properties for compounds. It can be connected after Upload SMILEs, AI-Dock, AI-Dock Plus, DeepCalici, DeepCalici Plus Modules.
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Module usage demonstration

Running the ADME-Tox module

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Please select ligand compounds for ADME-Tox prediction.

Progress messages

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The ADME-Tox module runs and the user is prompted to notify them of the progress of the run.

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After completion, the user can click to view the ADMET predicted result values for each compound.

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Estimated ADMET properties of each compound in the group : - Physicochemical property
- Medicinal Chemistry
- Absorption
- Distribution
- Metabolism
- Excretion
- Toxicity

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💡Click the ⓘ button on the right of each results to view the help for that topic.