Data Access

Data Access Components

AMBIT

AMBIT is a software package for chemoinformatic data management. It contains a relational database schema, allowing one to store and query all relevant structure and property information, including data for toxicity endpoints from various sources and formats. It can handle a very large number of structures efficiently.

DSSTox data for lazar

Git repositories for versioned DSSTox sdf files, conversion scripts to generate lazar input files, validation results.

Sens-it-iv Internal Database

Internal database for the Sens-it-iv FP6 project.

Toxmatch

Toxmatch (Java, GPL) provides means to compare a chemical or set of chemicals to a toxicity dataset through the use of similarity indices.
Intended use is one to many or many to many quantitative read-across. To help in the systematic formation of groups and read-across it has emphasis on endpoint-dependent similarity. Includes datasets for four toxicity endpoints to facilitate endpoint specific read-across.