Reproduces the in-silico toxicological profile of Heracleum sosnowskyi metabolites from Rassabina & Fedorov (2025) using open-source models for LD50 prediction, toxicity classification, chemical space clustering, and synthesis cost estimation.
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process.env. You'll be asked to provide them before it can run.HERACLEUM_TDC_DIRHERACLEUM_LD50_DATA_DIR— (oral,iv,ip,sc,skin,im) into ; route-specific models then train[](https://m8ven.ai/mcp/chemagents-heracleum-tox-mcp-server-83vxyy)