The open source chemoinformatic system AMBIT provides the following functions:
- Search for structure(s) and meta data
- Assessment tools for read-across and category formation
- Prediction tools: Cramer rules,
Protein binding,
Carcinogenicity and mutagenicity,
pKa,
Log Kow,
etc.
- Tools for data analysis: regression,
classification,
clustering,
etc.
- Meta data management: substances data, flexible creation of dataset with chemical structures and properties by
import,
etc.,
- Data exchange: manual or automated (OpenTox API
REST Web services)