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Ruby libraries for the lazar predictive toxicology framework
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validation.rb
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Author
2016-06-08
compound tests fixed
Christoph Helma
2016-06-01
validation tests fixed
Christoph Helma
2016-05-31
cleanup of validation modules/classes
Christoph Helma
2016-05-24
tests fixed. DescriptorTest#test_compound_all may fail within all.rb
Christoph Helma
2016-05-09
physchem crossvalidation fixed, test_compound_descriptor_parameters assertion...
Christoph Helma
2016-05-08
regression crossvalidation fixed
Christoph Helma
2016-05-07
-log10 for regression datasets, test cleanups
Christoph Helma
2016-04-26
first nanomaterial prediction
Christoph Helma
2016-04-15
data_entries removed from datasets. datasets are now just containers for comp...
Christoph Helma
2016-04-13
validation tests pass
Christoph Helma
2016-03-15
validation test cleanup
Christoph Helma
2016-03-15
validation tests pass
Christoph Helma
2016-02-29
regression crossvalidation fixed
Christoph Helma
2016-02-13
improved handling of duplicates in validations
Christoph Helma
2016-02-09
pls regression
Christoph Helma
2015-11-09
leave one out validation implemented
Christoph Helma
2015-11-04
neighbor search delegated to database backend
Christoph Helma
2015-10-08
crossvalidation plots, original classification confidence
Christoph Helma
2015-10-07
generalised fingerprints
Christoph Helma
2015-09-23
validations fixed (all models were executed with default parameters)
Christoph Helma
2015-09-16
repeated crossvalidations, improved experiment reports
Christoph Helma
2015-09-10
tests fixed (crossvalidations may fail due to memory constraints)
Christoph Helma
2015-09-09
fminer classification fixed
Christoph Helma
2015-08-25
Experiments added
Christoph Helma
2015-08-20
crossvalidation fixes
v0.0.7
Christoph Helma
2015-08-13
OpenBabel can (canonical smiles) instead of inchi as internal identifier to a...
Christoph Helma