ideaconsult/ambit-mirror

GitHub read-only mirror of AMBIT

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

• The LRI AMBIT Read across tool loaded with REACH dossiers

• Nanomaterials databases, download at

• structure standardization, tautomers

• applicability domain Ambit Discovery and more recent command line application

• More applications using AMBIT and examples how to call AMBIT modules at https://github.com/ideaconsult/apps-ambit