Computational Toxicology and Exposure APIs: Data Domains
The Computational Toxicology and Exposure APIs (CTX APIs) are organized into sets of “endpoints” by data domain. For data concerns found while accessing the CTX APIs, contact [email protected] or data domain-specific contacts.
Chemical API
Chemical API provides users with chemicals and associated chemical property data. Access documentation here:
Data underlying the Chemical API include:
- Chemical structures, nomenclature, synonyms, IDs, list associations, physicochemical property, environmental fate, and transport data from the Distributed Structure-Searchable Toxicity (DSSTox) database
- Predictions from Toxicity Estimation Software Tool (TEST) suite of QSAR models
Find more information on Chemicals and Chemistry Data.
Bioactivity API
Bioactivity API provides users with chemical bioactivity data. Access documentation here:
Data underlying the Bioactivity API comes from ToxCast’s invitrodb. US EPA’s Toxicity Forecaster (ToxCast) program makes medium- and high-throughput bioactivity screening assay data publicly available for prioritization and hazard characterization.
Learn more about the ToxCast program.
Exposure API
Exposure API provides users with chemical exposure data. Access documentation here:
Data underlying the Exposure API comes from the Chemicals and Products Database (CPDat) (Learn more: The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products) and predictions from EPA’s Quantitative Structure Use Relationship (QSUR) models (Learn more: High-throughput screening of chemicals as functional substitutes using structure-based classification models).
For exposure-related questions, contact the Chemical Exposure Knowledgebase team ([email protected]).
Hazard API
Hazard API provides users with human and ecotoxicology data. Access documentation here:
Data underlying the Hazard API comes from the Toxicity Value Database (ToxValDB). This resource is a compilation of information sourced from multiple public datasets, databases and open literature and includes data on thousands of chemicals from tens of thousands of records, with an emphasis on quantitative estimates of relevant points-of-departure from in vivo toxicology studies, such as no- and low-observable adverse effect levels, screening levels, reference doses, tolerable daily intake, etc.
Most Current Domain Versions
|
Domain |
Data |
Database Version (Date) |
Reference |
|---|---|---|---|
|
Chemistry |
DSSTox (incl. ACD Lab Names and MS-Ready, QSAR-Ready) |
20240208_DSSTox (Feb 2024) |
|
|
PhysChem and Environmental Fate/Transport Properties |
20191118_ChemPROP (Nov 2019) |
- |
|
|
OPERA |
v2.6 (Apr 2023) |
- |
|
|
Bioactivity |
ToxCast Bioactivity Data |
invitrodb v4.1 (Sept 2023) |
|
|
Exposure |
Product & Use Categories EPA QSURs (see) |
CPDat 4.0.0-alpha.3 (March 2024) |
|
|
Chemical Weight Fraction |
|||
|
Collected Data on Functional Use |
|||
|
Predicted Probability of Associated Functional Use |
- |
R package for 2017 Quantitative-Structure User Relationship model predictions |
|
|
Hazard |
Toxicity Values |
ToxValDB v9.2 |