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CRAFT - Chemical Reactivity and Fate Tool
CRAFT is a software suite that has been designed to assist scientists in the area of product safety, hazard and risk assessment and toxicology to interactively evaluate the chemical reactivity, persistence, biodegradation and fate of chemical compounds in the environment. CRAFT provides decision support to faster estimate the environmental impact of existing chemicals or to discover and optimize better and safer new chemical entities and products.
Features & Functionality
- Generation and evaluation of biodegradation products of chemical substances in the environment
- Generation of degradation trees and pathways weighted by the likelihood of occurrence of the individual reaction steps
- Built-in knowledge base of chemical reactivity and biodegradation derived from the University of Minnesota Biocatalysis and Biodegradation Database
- Extendible knowledge base to include user-defined models and rules for chemical reactivity and biodegradation
- Flexible design to plug-in third party tools or to call external applications
- Optional usage of on-line data sources to collect information about analyzed chemicals, e.g., PubChem
- Generation of printable and editable reports with user-definable level of detail
- Open-source application available under LGPL licensing terms
In order to maintain, extend and apply the knowledge base for the evaluation of chemicals, CRAFT consists of two main applications.
- CRAFT Editor - GUI-based program to inspect, modify and extend the contents of the knowledge base
- CRAFT Explorer - GUI-based program providing a wizard-driven interface with a predefined workflow that supports the user during the evaluation session (including command line interface for batch mode execution)
- Microsoft Windows XP/7
- Linux Kernel 2.6.32 and higher (32 and 64 bit)
- Mac OS X 10.5 (x86)
- Java™ Runtime Environment 1.6
- Instance of MySQL server 5.x (or higher, default storage engine must be InnoDB)
- CRAFT program flyer
- CRAFT v.1.0. installation guide
- CRAFT.Editor v.1.0. user manual
- CRAFT.Explorer v.1.0. user manual
The downloadable packages include both CRAFT Editor and CRAFT Explorer applications, the initial CRAFT knowledge base in a standard SQL and CRAFT export archive (.jex) format as well as the program manuals and the installation guide.
- CRAFT version 1.0 setup package for Microsoft Windows operating systems (54 MB)
- CRAFT version 1.0 package for Mac OS X 10.5 and Java 6 (64 bit) (54 MB)
- CRAFT version 1.0 package for other operating systems (Linux, Free BSD etc) (54 MB, may require the installation of additional system components)
An extended version of CRAFT with rules on rat S9 metabolism developed within the project OLIMPIC (Overcoming current Limitation In Metabolism Prediction of Industrial Chemicals) funded by CEFIC-LRI, Brussels, Belgium (LRI-Q2-MN-081212).
According to the LGPL licensing terms, the source code of CRAFT is available and can be downloaded as a ZIP file.
- CRAFT version 1.0 source code (148 MB)
CRAFT was developed by Molecular Networks on behalf of the European Commission’s Joint Research Centre, Ispra, Italy.
CRAFT is © 2008 European Union. The program is distributed under the terms of the Lesser GPL Version 2.1.