q-TOX: a brand new approach for prediction of compound toxicity
- The first non-QSAR approach to toxicity prediction.
- Based on a premise that biological activity results from the capacity of small molecules to modulate the activity of the proteome.
- For the first time we identified proteins, binding to which correlates well with compound toxicity parameters.
Predicted endpoints:
- MRDD
- LD50 (rodent: oral, intravenous,intraperitoneal, subcutaneous)
A number of other toxicity models are currently under development.
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References:
q-TOX As a New Generation Technology in Toxicity Prediction
Biological Spectra Analysis: Linking Biological Activity Profiles to Molecular Toxicity
ADMET report sample
