Age | Commit message (Expand) | Author |
2020-10-13 | mutagenicity downloads moved, PaDEL metadata | Christoph Helma |
2019-09-07 | obsolete data and java directories deleted | Christoph Helma |
2019-08-24 | initial refactored version for mutagenicity paper | Christoph Helma |
2018-11-02 | warnings fixed, cleanup | helma@in-silico.ch |
2018-10-30 | tests fixed | helma@in-silico.ch |
2018-10-24 | dataset tests fixed | helma@in-silico.ch |
2018-10-24 | dataset mapfeature_classes | helma@in-silico.ch |
2018-10-10 | dataset tests fixed | helma@in-silico.ch |
2018-10-10 | compound name resolution from pubchem, chembl disabled | helma@in-silico.ch |
2018-10-09 | tentative random forest classification: hangs unpredictably during caret mode...mutanew | helma@in-silico.ch |
2018-10-05 | sdf import, csv files with id column | helma@in-silico.ch |
2018-09-06 | adjusted classification similarities, dataset sdf export | helma@in-silico.ch |
2017-01-11 | documentation for all classes | Christoph Helma |
2017-01-10 | independent_variables stored in GridFS to avoid Mongo database size limit pro... | Christoph Helma |
2016-11-10 | intermediate commit, may be defunct | Christoph Helma |
2016-10-14 | weighted average for failed caret predictions fixed | Christoph Helma |
2016-10-14 | git commit added to model metadata | Christoph Helma |
2016-10-13 | compound tests fixed | Christoph Helma |
2016-10-13 | descriptor tests fixed | Christoph Helma |
2016-10-13 | test_physchem fixed | Christoph Helma |
2016-10-13 | molecular_weight fixed | Christoph Helma |
2016-10-12 | physchem regression, correlation_filter for fingerprints | Christoph Helma |
2016-10-05 | compound and descriptor tests fixed | Christoph Helma |
2016-10-05 | substance and nanoparticle model creation and predictions | Christoph Helma |
2016-09-26 | pubchem uri fixedathens-workshop | Christoph Helma |
2016-09-26 | Chembl URI fixed | Christoph Helma |
2016-09-26 | CACTUS_URI updated | Christoph Helma |
2016-06-08 | compound tests fixed | Christoph Helma |
2016-05-31 | cleanup of validation modules/classes | Christoph Helma |
2016-05-27 | first correlation of nanoparticle predictions | Christoph Helma |
2016-05-13 | compound tests fixed | Christoph Helma |
2016-05-12 | enm study import fixed | Christoph Helma |
2016-05-08 | regression crossvalidation fixed | Christoph Helma |
2016-05-08 | default validations fixed | Christoph Helma |
2016-05-07 | -log10 for regression datasets, test cleanups | Christoph Helma |
2016-05-06 | dataset tests cleanup | Christoph Helma |
2016-05-05 | ambit mirror, import from mirrored json, proteomics import | Christoph Helma |
2016-04-28 | compound classification fixed | Christoph Helma |
2016-04-15 | data_entries removed from datasets. datasets are now just containers for comp... | Christoph Helma |
2016-04-14 | features/toxicities fixed | Christoph Helma |
2016-04-13 | improved enm import | Christoph Helma |
2016-04-13 | validation tests pass | Christoph Helma |
2016-04-12 | new dataset structure | Christoph Helma |
2016-04-08 | enm import test | Christoph Helma |
2016-03-14 | descriptor tests | Christoph Helma |
2016-02-28 | physchem calculation and storage in compouds | Christoph Helma |
2016-02-28 | physchem feature class | Christoph Helma |
2016-02-27 | local pls regression as default regression algorithmfminer | Christoph Helma |
2016-02-09 | pls regression | Christoph Helma |
2016-01-08 | mg-mmol conversion fixed | Christoph Helma |