eTox Drug Toxicity Prediction
Predict Toxicity and Synthetic Accessibility from SMILES text or file inputs.
Quickly predict the toxicity and synthetic accessibility of low molecular weight organic drugs through a Deep Belief Network built on Restricted Boltzmann Machines.
Estimated resource cost: 0.000031
Categories: Ligand/Drug Design & Screening
Tags: Molecular Descriptors Synthetic Accessibility Toxicity
Key Capabilities
- Predicts toxicity of low molecular weight organic compounds from 0 to 1 where 0 is low toxicity probability and 1 is high.
- Predicts synthetic accessibility from 1 to 10 where 1 easy to make and 10 is very difficult to synthesize.
- Utilizes a Deep Belief Network built atop multiple Restricted Boltzmann Machine units.
Runtime Statistics
| Metric | Value |
|---|---|
| runtime_mean | 3 |
| runtime_median | 3 |
| runtime_std | 3 |
| runtime_90th_percentile | 5 |
| runtime_max | 159 |
Similar Tools
- ADMET-AI
- ChemBounce
- Free Wilson Analysis
- Mordred Molecular Descriptor Calculator
Ready to submit your job?
Review your configuration, then confirm the estimated credit cost before you run the job. Note that credit estimates are not guaranteed and runtime can vary depending on inputs and settings.
Estimated Credits: 0.000031
Invite-only, limited-time access. Please contact ztang@getantibody.com.
Invite-only, limited-time access. Please contact ztang@getantibody.com.