File | Date | Author | Commit |
---|---|---|---|
.github | 2023-02-23 | Luchesar ILIEV | [da90be] ops: bump repository-dispatch to v2 to fix GH a... |
ambit2-all | 2023-05-27 | vedina | [484673] annotations in nmparser |
ambit2-apps | 2023-09-02 | vedina | [7a59e0] study display config |
.editorconfig | 2021-08-25 | Luchesar ILIEV | [4404bf] editorconfig: add .prop files |
.gitattributes | 2007-12-14 | Nina Jeliazkova | [f8df5f] |
.gitignore | 2021-07-18 | Luchesar ILIEV | [5ef7f8] Git: Update .gitignore |
README.md | 2018-05-18 | vedina | [83f839] README updates |
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).
The LRI AMBIT Read across tool loaded with REACH dossiers
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