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AMBIT

AMBIT offers chemoinformatics functionality via OpenTox API compliant REST web services.

  • Chemical structures, substances, nanomaterials and data storage in MySQL database;

  • Substructure, similarity and other queries (The CDK; AMBIT SMARTS, SMIRKS, tautomers);

  • Descriptor calculation and predictive models building (Weka, Toxtree).

Applications