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path: root/test/compound.rb
AgeCommit message (Expand)Author
2015-11-04Merge branch 'development' of github.com:opentox/lazar into developmentChristoph Helma
2015-11-04neighbor search delegated to database backendChristoph Helma
2015-10-29Added molecular weight to compound and mg conversionsdavor
2015-10-08version bump, experiment tests skippedChristoph Helma
2015-10-08crossvalidation plots, original classification confidenceChristoph Helma
2015-10-07generalised fingerprintsChristoph Helma
2015-09-23validations fixed (all models were executed with default parameters)Christoph Helma
2015-09-17neighbor calculation moved to Compound classChristoph Helma
2015-09-16generic openbabel fingerprintsChristoph Helma
2015-08-24Model::Prediction with tests, initial indexesv0.0.8Christoph Helma
2015-08-19libfminer rpath fixed, installation instructionsChristoph Helma
2015-08-18initial installation fixes, installs on Debian 3.16.7ch
2015-08-13OpenBabel can (canonical smiles) instead of inchi as internal identifier to a...Christoph Helma
2015-08-10transfer to new git project startedChristoph Helma
2012-04-26tests removed, URI.accessible? check temporarily removedChristoph Helma
2012-02-08toxbank-investigation compatible versionChristoph Helma
2012-01-13compound addedChristoph Helma
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