BeeGuard

Structure-only honey-bee acute toxicity screening

Research triage tool — not a regulatory determination.

Predict

Enter a SMILES string. The model uses molecular fingerprints and physicochemical descriptors only.

SMILES

Examples

COMPOUND

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SMILES
InChIKey
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2D STRUCTURE

2D structure

CALIBRATED P(TOXIC)

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Confidence: — Domain: —
This molecule is structurally unlike the training data (max Tanimoto 0.00). Treat this prediction as unreliable.

Properties

Batch

Up to 200 SMILES. Name lookup is skipped above 50 compounds for responsiveness.

# Name SMILES Verdict P(toxic) In domain

Split AUROC MCC PR-AUC Bal. acc. Tox P Tox R Tox F1

Confusion matrix — diverse test (Model A)