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2012-02-12Updated y-values of LOAEL to log(mol)pc_new_1Andreas Maunz
2012-02-12Updated y-values of LOAEL to log(mg)Andreas Maunz
2012-02-10Created new feature dataset with feature selection algo and updatedAndreas Maunz
dataset.yaml
2012-02-10Removed missing features from feature datasets and updated dataset.yamlAndreas Maunz
2012-02-09Fixed testsAndreas Maunz
2012-02-08Toggle commentsAndreas Maunz
2012-02-08Updated LOAEL feature datasets (removed "nominal" features)Andreas Maunz
2012-02-08Added LOAEL data and feature csv files (feature dataset with "nominal"Andreas Maunz
features)
2012-02-08Added LOAEL feature datasetsAndreas Maunz
2012-02-01Updated and moved scripts in new folder structuredavor
2012-01-31Deleted old filesdavor
2012-01-31Merge branch 'pc_new_1' of github.com:opentox/test into pc_new_1davor
Conflicts: 5x_cv/fs/MOU_ELECT2.R 5x_cv/fs/RAT_ELECT2.R
2012-01-31Deleted old filesdavor
2012-01-31Merge branch 'pc_new_1' of github.com:opentox/test into pc_new_1Andreas Maunz
2012-01-31Updated feature dataset URIsAndreas Maunz
2012-01-31Merge branch 'pc_new_1' of github.com:opentox/test into pc_new_1Andreas Maunz
2012-01-31Merge branch 'caret' into pc_new_1Andreas Maunz
2012-01-31Adjusted tests to new parameters (see http://goo.gl/lXJBS)Andreas Maunz
2012-01-30Added new structure for crossvalidations with backup of all regressionAndreas Maunz
datasets
2012-01-30Using best selection (see Nestle report)Andreas Maunz
2012-01-26Finished variable selectionAndreas Maunz
2012-01-25Feature Selection: data sets preparedAndreas Maunz
2012-01-21Added csv files of topological feature datasetsDavid Vorgrimmler
2012-01-20Updated tests to current versionAndreas Maunz
2012-01-20Merged MOU and MOU_pTD/ RAT and RAT_pTDAndreas Maunz
2012-01-20Added topological feature ds for MDD and FHMAndreas Maunz
2012-01-19Added corrected topologoical feature ds and test/training ds for rat andAndreas Maunz
mouse
2012-01-18Added feature datasetAndreas Maunz
2012-01-18Updated datasets_nestle.yaml: Replaced all URIs with recent versions. MDDAndreas Maunz
bases on FDA_v3b_Maximum_Recommended_Daily_Dose_LOGINV_mmol_outl.csv. FHM bases on EPA_v4b_Fathead_Minnow_Acute_Toxicity_LC50_LOGINV_mmol_oul.csv. RAT and MOU base now on the data from Bercu paper (Bercu_CPDB_9March2010_rat_pTD50.csv and Bercu_CPDB_9March2010_mouse_pTD50.csv). All csv file are available at Dropbox/Lazar-Modellvergleich/Daten/Nestle_regression.
2012-01-18Removed old datasets_nestle backup and added an new backupAndreas Maunz
2012-01-18Moved csv filesAndreas Maunz
2012-01-18Added folder structureAndreas Maunz
2012-01-17Added MOU_pTD and RAT_pTDdavor
2012-01-17Merge branch 'pc_new_1' of github.com:opentox/test into pc_new_1Andreas Maunz
2012-01-17Adjusted tests for commit 4aafc9b30Andreas Maunz
2012-01-16Updated filesdavor
2012-01-16Added some validation tool for pc dsdavor
2012-01-16Added feature ds for outl and improved inchi checkdavor
2012-01-16Adjusted tests to commit 1aeb705davor
https://github.com/opentox/opentox-ruby/commit/1aeb705695a0f908760088a4666554393121160d
2012-01-13Re-adjusted neighbors to 132davor
2012-01-13Fixed SVD testdavor
2012-01-13Updated and checked datasetsdavor
2012-01-13Adjusted tests to fingerprint fixdavor
see https://github.com/opentox/algorithm/commit/eff86c3f6c7e99a19edf1e38dee577a9e9080bf7
2012-01-10Adjusted testsdavor
2012-01-09Updated testsdavor
2012-01-04Enabled pcr testdavor
2012-01-04Updated csv files and feature datasetsdavor
2012-01-02Updated tests for PCdavor
2012-01-02Added constitutional datasetdavor
2011-12-29Added rest of descriptorsdavor
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