2017-05-26 gebelebumped version to 1.1.0 v1.1.0
2017-05-26 gebeleMerge branch 'development'
2017-05-26 gebeleMerge branch 'master' of
2017-05-22 gebelefix for lower min sim threshold
2017-05-05 gebeleadded warnings field for leave-one-out test fails
2017-05-04 gebelecleanup and hack for mongos file size limit
2017-05-04 gebeleensure always two probability values for classification
2017-05-04 gebeleensure warnings for validation statistics
2017-04-11 gebelechanged compound to predict fixed test
2017-03-31 gebeleadjusted classification tests for min sim 0.1
2017-03-31 gebeleset default min sim to 0.1 for classification and 0...
2017-03-28 gebelefixed wrong accuracy assertion to rmse
2017-03-24 gebeleadjusted for higher default similarity min value
2017-03-24 gebeleadjusted for higher similarity min value
2017-03-21 gebelefixed regression test for rf algorithm see: 'loael...
2017-03-21 gebelefixed endless loop; rescue for missing neighbors
2017-03-21 gebelefixed test_to_csv
2017-03-16 gebeleMerge branch 'master' into development
2017-03-16 gebeledetect and use a central mongodb
2017-03-16 gebeleMerge branch 'development' of
2017-03-16 gebeleloael edit
2017-03-03 gebeleMerge branch 'master' into development
2017-02-20 Christoph Helmaworst predictions fixed for regression nano-lazar-paper.revision
2017-02-18 Christoph Helmafixed header for nano-lazar correlation plots
2017-02-10 gebeleMerge branch 'master' of
2017-02-03 Christoph Helmablock idents
2017-02-03 Christoph Helmatypos fixed
2017-02-03 Christoph Helmaalgorithm selection tutorial
2017-01-19 gebeleadded TODO for missing descriptor
2017-01-19 gebelefixed feature test and unique_descriptors
2017-01-18 gebelebumped version v1.0.1
2017-01-18 gebelefixed merge
2017-01-16 gebelemerge development
2017-01-12 Christoph Helmasource uris for core and coating
2017-01-11 Christoph Helmadocumentation for all classes
2017-01-11 Christoph Helmatraining test set validation documentation
2017-01-11 Christoph HelmaLOO documentation
2017-01-11 Christoph Helmavalidation documentation
2017-01-11 Christoph Helmamodel documentation updated
2017-01-10 Christoph Helmamodel documentation
2017-01-10 Christoph Helmainitial model documentation
2017-01-10 Christoph CV information fixed
2017-01-10 Christoph headings fixed
2017-01-10 Christoph HelmaBrief tutorial in
2017-01-10 Christoph Helmaindependent_variables stored in GridFS to avoid Mongo...
2016-12-20 gebeleMerge branch 'development' 1.0.0
2016-12-20 Christoph Helmatrue_rate, predictivity stored in crossvalidation nano-lazar-paper.submission
2016-12-18 Christoph Helmamodena import modifications removed
2016-12-12 Christoph Helma5 repeated cvs for enm
2016-12-12 Christoph Helmamodena import workarounds
2016-12-12 gebelemerged development
2016-12-08 Christoph Helmamerged origin/development
2016-12-08 Christoph HelmaOpenTox::Validation::RepeatedCrossValidation fixed...
2016-12-06 gebelefull class name required
2016-12-05 gebeleremoved dependency gem version numbers
2016-11-25 Christoph HelmaMerge branch 'development' of
2016-11-25 Christoph Helmaalgorithms accessor for Model::Validation
2016-11-24 gebelealways convert to SMILES v9-nestec
2016-11-23 gebeleadded delog10;generalized mmol2-log10 eNM
2016-11-11 Christoph Helmap-chem regression and enm import fixed
2016-11-11 Christoph Helmaenm import fixed
2016-11-10 Christoph HelmaModel::NanoPrediction parameters
2016-11-10 Christoph HelmaMerge branch 'development' of
2016-11-10 Christoph Helmaintermediate commit, may be defunct
2016-11-10 gebeleMerge branch 'development' of
2016-11-10 gebeleadded nanomodel create
2016-11-09 Christoph HelmaCDK 2.0
2016-11-08 Christoph HelmaMerge branch 'development' of
2016-11-08 Christoph Helmaprobability plot for classification
2016-11-04 gebelereintroduced Gemfile
2016-10-28 Christoph Helmaadjusted r^2 removed (does not apply well to local...
2016-10-27 Christoph HelmaGridFS storage for plots.
2016-10-27 Christoph Helmaprobability plot for classification validations
2016-10-14 Christoph Helmaweighted average for failed caret predictions fixed
2016-10-14 Christoph Helmagit commit added to model metadata
2016-10-13 Christoph Helmatests pass
2016-10-13 Christoph Helmacompound tests fixed
2016-10-13 Christoph Helmamodel tests separated and cleaned
2016-10-13 Christoph Helmaclassification fixed
2016-10-13 Christoph Helmadescriptor tests fixed
2016-10-13 Christoph Helmatest_physchem fixed
2016-10-13 Christoph Helmamolecular_weight fixed
2016-10-12 Christoph HelmaR NAs fixed
2016-10-12 Christoph Helmaphyschem regression, correlation_filter for fingerprints
2016-10-07 Christoph updated
2016-10-07 Christoph Helmaremaining tests fixed
2016-10-07 Christoph Helmaunified interface for prediction algorithms
2016-10-06 Christoph Helmanano caret regression fixed
2016-10-05 Christoph Helmaclassification and regression tests
2016-10-05 Christoph Helmacompound and descriptor tests fixed
2016-10-05 Christoph Helmasubstance and nanoparticle model creation and predictions
2016-10-03 Christoph Helmainitial model creation tests
2016-09-30 Christoph Helmanpo uri as source, spectral count unit f proteomics...
2016-09-26 Christoph Helmapubchem uri fixed athens-workshop
2016-09-26 Christoph Helma resource_not_found_error changed to not_found_error...
2016-09-26 Christoph HelmaChembl URI fixed
2016-09-26 Christoph HelmaCACTUS_URI updated
2016-09-13 Micha Rautenbergupdated copyright date
2016-07-26 Christoph HelmaNanoPrediction model
2016-07-25 Christoph Helmalocal_weighted_average fallback fixed, cv predictions...