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AgeCommit message (Expand)Author
2016-10-13tests passChristoph Helma
2016-10-13model tests separated and cleanedChristoph Helma
2016-10-13classification fixedChristoph Helma
2016-10-13descriptor tests fixedChristoph Helma
2016-10-13molecular_weight fixedChristoph Helma
2016-10-12physchem regression, correlation_filter for fingerprintsChristoph Helma
2016-10-06nano caret regression fixedChristoph Helma
2016-10-05substance and nanoparticle model creation and predictionsChristoph Helma
2016-10-03initial model creation testsChristoph Helma
2016-07-26NanoPrediction modelChristoph Helma
2016-06-03random forest regressionChristoph Helma
2016-06-02proteomics regression validationChristoph Helma
2016-06-01all tests fixedChristoph Helma
2016-06-01validation tests fixedChristoph Helma
2016-05-31cleanup of validation modules/classesChristoph Helma
2016-05-27first correlation of nanoparticle predictionsChristoph Helma
2016-05-24tests fixed. DescriptorTest#test_compound_all may fail within all.rbChristoph Helma
2016-05-12enm study import fixedChristoph Helma
2016-05-09nanoparticle models fixedChristoph Helma
2016-05-08default validations fixedChristoph Helma
2016-05-06dataset tests cleanupChristoph Helma
2016-05-05ambit mirror, import from mirrored json, proteomics importChristoph Helma
2016-05-04first reasonable results for nanoparticle crossvalidationChristoph Helma
2016-04-28compound validations fixedChristoph Helma
2016-04-28compound classification fixedChristoph Helma
2016-04-26first nanomaterial predictionChristoph Helma
2016-04-15data_entries removed from datasets. datasets are now just containers for comp...Christoph Helma
2016-04-14features/toxicities fixedChristoph Helma
2016-04-13validation tests passChristoph Helma
2016-04-12new dataset structureChristoph Helma
2016-03-23prediction interval for regressionChristoph Helma
2016-03-15single tests passChristoph Helma
2016-03-15validation tests passChristoph Helma
2016-03-14descriptor testsChristoph Helma
2016-03-14folds split on unique compounds instead of data entriesChristoph Helma
2016-02-29crossvalidation folds fixed for duplicatesChristoph Helma
2016-02-27local pls regression as default regression algorithmfminerChristoph Helma
2016-02-13improved handling of duplicates in validationsChristoph Helma
2015-11-04neighbor search delegated to database backendChristoph Helma
2015-10-28always collect neighbors even if database hitgebele
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
2015-09-16repeated crossvalidations, improved experiment reportsChristoph Helma
2015-09-14training_dataset moved to base Model classChristoph Helma
2015-09-14attr_accessor :training_dataset removed in Lazar modelsChristoph Helma
2015-09-14classification? and regression? methods for Model::PredictionChristoph Helma
2015-09-10tests fixed (crossvalidations may fail due to memory constraints)Christoph Helma
2015-09-09fminer classification fixedChristoph Helma