Write reproducible code for getting and processing ChEMBL

Health Assessment Workspace Collaborative, a content management system for systematic reviews

The eNanoMapper ontology

toxpiR R package for the Toxicological Priority Index (ToxPi) algorithm.

Bayesian No-Effect-Concentration estimation in R

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

R package for simulation of caffeine concentration <doi:10.12793/tcp.2017.25.3.141>. https://asancpt.github.io/caffsim

The rebirth of IMPACT World+ in a fully automated and transparent fashion.

Repository to coordinate the work of the Toxicology Community.

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

The Blood Exposome Database

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

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.

links related to SEND/Nonclinical toxicology

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.

OpenTox functionality for Bioclipse.

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

My personal website, served at https://cthoyt.com

Molecular structure-based classification of chemicals in known hazard groups