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eToxPred — Vecura
eToxPred
eToxPred is a machine-learning tool that estimates the toxicity (Tox-score) and computes the exact synthetic accessibility score (SAscore) of small organic compounds.
Input
Plain list (no header)
CC(=O)Oc1ccccc1
COc1ccc(cc1)C(=O)N
CSV with header (smiles required, name optional)
smiles,name
CC(=O)Oc1ccccc1,Aspirin
Results
Configure input settings on the left, then click "Run"
