AMBIT


AMBIT, a software for cheminformatic data management, is an outcome of a CEFIC LRI sponsored project: EEM9 - Building blocks for a future (Q)SAR (Quantitative Structure Activity Relationship) decision support system, developed in collaboration with P&G.

The AMBIT system consists of a database and functional modules allowing a variety of flexible searches and mining of the data stored in the database. The AMBIT database stores more than 450.000 chemical structures and their identifiers such as CAS, Einecs, Inchi numbers. It also contains attributes such as molecular descriptors, experimental data together with test descriptions, literature references. The data, which is quality assured and organized in searchable templates, offers unique features on chemicals information (structure, data, text), including REACH applicable PBT and analogues assessment.

AMBIT Discovery performs chemical grouping and assesses the applicability domain of a QSAR offering a variety of methods including the use of different approached to similarity assessments.

The AMBIT software is available online and as a stand-alone application at http://ambit.sourceforge.net. You can also download the AMBIT Database Design and Disclosure Application.

Posters:

AMBIT: Cheminformatics Data Management System