At IDEAconsult we are committed to providing consultancy, technical services and software development in the areas of cheminformatics, QSAR and data mining. For more than ten years now, we have been actively participating in various research projects in Europe and the world, like the highly successful OpenTox, in which we were in charge of the framework implementation. We have also lead activities in two other FP7 projects: the Data Warehouse WP of the ToxBank project and the Database implementation and development WP of the eNanoMapper project. Currently we are leading the Data Solution team of the Nanoreg2 H2020 project and we are also involved in big data modelling in High Performance Computing context in the framework of the ExCAPE H2020 project.
We pride ourselves on several well-known and widely used open source software products that we develop and maintain, particularly Toxtree, Toxmatch and AMBIT. Toxtree is a full-featured and flexible user-friendly open source application, which is used to estimate toxic hazard and threshold of toxicological concern by applying a decision tree approach. Toxmatch is helpful for encoding and applying chemical similarity indices and identification of activity cliffs. AMBIT offers chemoinformatics functionality via REST web services. It is a QSAR decision support system, which includes generic database management, structure conversions, and searching, as well as applicability domain assessment. We design and develop these tools in close co-operation with the academia, the regulatory bodies and the industry, always aiming for the best balance of functionality, usability and strict conformance to the accepted standards and best practices.
Our GitHub repository contains open source code examples and libraries: