https://github.com/ideaconsult/ambit-mirror
GitHub read-only mirror of AMBIT
https://github.com/ideaconsult/ambit-mirror
ambit bioinformatics cdk cheminformatics chemistry opentox rest-api toxtree weka
Last synced: 5 months ago
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GitHub read-only mirror of AMBIT
- Host: GitHub
- URL: https://github.com/ideaconsult/ambit-mirror
- Owner: ideaconsult
- Created: 2018-05-14T16:28:03.000Z (about 8 years ago)
- Default Branch: master
- Last Pushed: 2026-01-05T09:42:07.000Z (6 months ago)
- Last Synced: 2026-01-06T06:57:56.044Z (6 months ago)
- Topics: ambit, bioinformatics, cdk, cheminformatics, chemistry, opentox, rest-api, toxtree, weka
- Language: Java
- Homepage: http://ambit.sourceforge.net
- Size: 194 MB
- Stars: 8
- Watchers: 1
- Forks: 5
- Open Issues: 1
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Metadata Files:
- Readme: README.md
Awesome Lists containing this project
README
# AMBIT
[AMBIT](http://ambit.sourceforge.net/) 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](https://cdk.github.io/); [AMBIT SMARTS](http://ambit.sourceforge.net/smarts.html), [SMIRKS](http://ambit.sourceforge.net/smirks.html), tautomers);
* Descriptor calculation and predictive models building (Weka, [Toxtree](http://toxtree.sourceforge.net/)).
# Applications
- [The LRI AMBIT Read across tool](https://ambitlri.ideaconsult.net/) loaded with REACH dossiers
- [Nanomaterials databases](http://search.data.enanomapper.net), [download at](http://ambit.sourceforge.net/enanomapper)
- [structure standardization, tautomers](https://zenodo.org/record/1145812)
- applicability domain [Ambit Discovery](http://ambit.sourceforge.net/download_ambitdiscovery.html) and [more recent command line application](https://github.com/ideaconsult/appdomain)
- More applications using AMBIT and examples how to call AMBIT modules at https://github.com/ideaconsult/apps-ambit