Write reproducible code for getting and processing ChEMBL

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

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

Captures key data for health assessment of chemicals and other environmental hazards

Data-driven chemical-induced toxicity prediction by machine learning using chemical and bioactivity data

R Shiny App to Visualize and Summarize Repeat-Dose Toxicology Study Results

A query engine to retrive information from AOP wiki graph database.

U.S EPA Benchmark Dose Modeling Software (BMDS)

Repository to coordinate the work of the Toxicology Community.

The Blood Exposome Database

ANDA: An open-source tool for automated image analysis of in vitro neuronal cells

MCP server providing tools to access EFSA's comprehensive OpenFoodTox Chemical Hazards in food dataset

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.

SARAlerts is a code to generate structural alerts (toxic alerts) using Local Interpretable Model-Agnostic Explanations (LIME) of machine learning models from Tox21, Clintox, and Sider datasets.

OpenRiskNet pipeline for TGX case study: toxicology predictions based on transcriptomic profiles

links related to SEND/Nonclinical toxicology

Analysis of Ecotoxicology

U.S. EPA Benchmark Dose Modeling Software User Interface (BMDS Desktop and BMDS Online)

LLM-powered map of US toxic waste sites

OpenTox functionality for Bioclipse.

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.

Endocrine Disruption Explainer is a code to generate structural alerts of endocrine disruption of chemcial compounds using Local Interpretable Model-Agnostic Explanations (LIME) of machine learning models from TOX-21, EDC, and EDKB-FDA datasets.

Source code for the web application associated with "Transformers enable accurate prediction of acute and chronic chemical toxicity in aquatic organisms".

[Frontend] A knowledge graph system with graph neural network for drug discovery, disease mechanism and biomarker screening.

Molecular structure-based classification of chemicals in known hazard groups

Run the AMBIT services on Docker