Evidence federation MCP server for the EPA CompTox API
MCP server for PBPK modeling workflows (simulation control + PK analytics).
MCP server for Adverse Outcome Pathway (AOP) discovery, semantics, and draft authoring.
A repo for the EWC artifical Neural network model for predicting EC3 Values For Skin Sensitization
OECD Test Guidelines-based toxicity prediction using machine learning. Comprehensive computational toxicology framework with pre-trained models for genotoxicity, carcinogenicity, acute toxicity, DART, and ecotoxicity endpoints.
Jupyter notebook and tabular data files to support the publication "Combined In vitro and In silico Workflow to Deliver Robust, Transparent, and Contextually Rigorous Models of Bioactivity" (Charest et al. 2025)
MCP server for OECD QSAR Toolbox workflows with structured outputs and PDF reports.
MCP server for ADMETlab 3.0 (washing, ADMET prediction, rendering, CSV retrieval).
49k chemicals categorized by usage or function in 16k consumer products (e.g. shampoo, soap)
Script that associates with: ‘Comparing the Predictivity of Human Placental Gene, microRNA, and CpG Methylation Signatures in Relation to Perinatal Outcomes’, published in 2021 by Clark et al. (PMID: 34255065).
EPA data on 1,800 chemicals across 700+ assay endpoints
A machine learning project estimating the effect of data splitting strategies across different similarity gradients on calibration and discrimination in hERG liability predictions.
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