Articles • ComptoxR

Getting started with ComptoxR: Install ComptoxR, configure an API key, and retrieve chemical data.
Building a CCD chemical profile: Build a task-oriented CompTox profile for one chemical.
Chemical lists and bulk workflows: Discover lists, resolve identifiers, preserve failures, and use bulk endpoints.
Hazard data and ToxValDB: Use fast CCD hazard endpoints, then deepen the search with local ToxValDB data.
Cheminformatics search and AMOS: Search structures, run available models, cluster chemicals, and use AMOS classifications.
EPI Suite: Find a chemical, submit selected EPI Suite modules, and inspect nested estimates.
ECOTOX: Install local ECOTOX data and run one focused ecological-effects query.
Risk evidence compilation: Compile screening-level identity, fate, hazard, exposure, and bioactivity evidence.
Local data and development: Install local EPA data, inspect schemas, and find contributor guidance.

Development Lifecycle: How a change travels from a feature branch to a released version of ComptoxR, and how the GitHub Actions workflows build, test, version, and publish the package along the way.