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AMBIT
AMBIT offers chemoinformatics functionality via OpenTox API compliant REST web services.
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Chemical structures, substances, nanomaterials and data storage in MySQL database;
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Substructure, similarity and other queries (The CDK; AMBIT SMARTS, SMIRKS, tautomers);
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Descriptor calculation and predictive models building (Weka, Toxtree).
Applications
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The LRI AMBIT Read across tool loaded with REACH dossiers
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applicability domain Ambit Discovery and more recent command line application
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More applications using AMBIT and examples how to call AMBIT modules at https://github.com/ideaconsult/apps-ambit
Quick Start
ambit-docker provides Docker images and configurations for testing AMBIT on your machine or deploying it inside your organization. It also contains examples with the freely available NANoREG and NANoREG II data.
Development
See the Contributor Guide.