heracleum-tox-mcp-server

Using Heracleum sosnowskyi metabolite data, generate an in-silico toxicological profile including LD50 prediction, toxicity classification, and a summary of high-risk compounds.

Returns toxicity predictions, risk levels, and a list of high-risk metabolites.

Cluster Heracleum sosnowskyi metabolites in chemical space, identify structurally similar groups, and indicate which clusters may have higher toxicity.

Outputs clustering results, representative features for each cluster, and notes on potentially high-toxicity clusters.

Combine toxicity prediction with synthesis cost estimation to rank these metabolites and provide prioritized and deferred candidates for validation.

Provides a ranked list balancing risk and cost, with prioritized and secondary validation candidates.