CRAFT is a software suite for the evaluation of chemical reactivity to support scientists in the area of product safety and hazard assessment.
The initial development of CRAFT was funded by the European Commission, Joint Research Centre, Institute of Health and Consumer Protection. The knowledge base on the biodegradation of chemicals in the environment which is derived from the University of Minnesota Biocatalysis and Biodegradation Database was complemented by rules on rat microsomal metabolism within the Cefic LRI funded project LRI-Q2 “Overcoming current Limitations In Metabolism Prediction of Industrial Chemicals (OLIMPIC)”. CRAFT builds on the chemoinformatic data management software AMBIT.
CRAFT consists of two applications with a graphical user interface (GUI): the CRAFT Editor and the CRAFT Explorer. On the one hand, the CRAFT Editor is used to inspect, modify and extend the contents of the knowledge base. On the other hand, the CRAFT Explorer supports the user to systematically generate (metabolic) degradation trees of chemical compounds. The GUI version has a wizard-driven interface with a predefined workflow.
The degradation trees and pathways generated with the CRAFT Explorer are weighted by the likelihood of occurrence of the individual reaction steps according to the chosen knowledge base. User-defined models and rules for chemical reactivity can be easily added to the extendible knowledge base. CRAFT is open-source software which is available under LGPL licensing terms.
The CRAFT software with the extensions made within the OLIMPIC project can be downloaded from http://www.molecular-networks.com/products/craft.
Demos, manuals, tutorials and frequently asked questions are available here.