eToxPred
Estimate toxicity risk and synthetic accessibility
eToxPred estimates the toxicity and synthetic accessibility of candidate compounds using machine learning models over molecular descriptors and fingerprints. It ranks compounds by predicted adverse effects to prioritize safer chemotypes early. Useful as a fast pre-filter before expensive in vitro toxicity testing.
eToxPred is being onboarded — request access and be first in line.
At a glance
- Input
- Compounds (SMILES)
- Output
- Toxicity scores (CSV)
- Developed by
- Louisiana State University
- Published
- Pu et al., 2020 · 2020
#toxicity#property-prediction#synthetic-accessibility
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