Write reproducible code for getting and processing ChEMBL
Umbrella repo for the ToxMCP Suite (docs, links, quickstart).
Health Assessment Workspace Collaborative, a content management system for systematic reviews
The eNanoMapper ontology
The rebirth of IMPACT World+ in a fully automated and transparent fashion.
Bayesian No-Effect-Concentration estimation in R
U.S EPA Benchmark Dose Modeling Software (BMDS)
Captures key data for health assessment of chemicals and other environmental hazards
toxpiR R package for the Toxicological Priority Index (ToxPi) algorithm.
R package for simulation of caffeine concentration <doi:10.12793/tcp.2017.25.3.141>. https://asancpt.github.io/caffsim
Data-driven chemical-induced toxicity prediction by machine learning using chemical and bioactivity data
Refactored version of the drc package, a framework for fitting and analyzing dose–response models. This repository restructures the codebase to improve maintainability, transparency, and future development.
R Shiny App to Visualize and Summarize Repeat-Dose Toxicology Study Results
A query engine to retrive information from AOP wiki graph database.
Repository to coordinate the work of the Toxicology Community.
MCP server for PBPK modeling workflows (simulation control + PK analytics).
BBBP Explainer is a code to generate structural alerts of blood-brain barrier penetrating and non-penetrating drugs using Local Interpretable Model-Agnostic Explanations (LIME) of machine learning models from BBBP dataset.
Evidence federation MCP server for the EPA CompTox API
BioInsectiNet is a Python-based framework that uses neural networks and genetic algorithms to design and optimize bioinsecticides targeting specific proteins. It generates novel SMILES compounds, predicts toxicity and affinity using IC50 data from FASTA sequences, and performs molecular docking for 3D interaction analysis.
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