T ToxiPredv1.0
v1.0 · 0 indexed compounds · 24 tissue lineages

Drug toxicity, decoded.

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loading 3D structure…
Sertraline C₁₇H₁₇Cl₂N · SSRI · PubChem CID 68617
53,720
compounds
24
tissue lineages
1,400+
pathways
14
source datasets
- Pipeline

From compound to mechanism, in four stages.

SMILES JSON
01
Resolve

Match atlas

Canonical SMILES is matched against the indexed compound atlas.

02
Predict

Run ensemble

Novel chemistry passes through the pathway-bottleneck neural ensemble.

03
Decompose

Score pathways

Hadamard contributions, gated by the cytotoxicity band DSSmean > 5.

04
Report

Return result

Per-tissue DSS, top-3 mechanisms, dominant family - single response.