/paper/
../
.gitignore
Makefile
NestecNestlereportdraft2.txt
Rakefile
SMARTS_InteLigand.txt
appendix
create-combined.rb
create-median-correlation.rb
create-test.rb
crossvalidations.R
crossvalidations.rb
data
figure
functional-groups-reduced.csv
functional-groups-reduced4R.csv
functional-groups.R
functional-groups.csv
functional-groups.rb
functional-groups.txt
functional-groups.yaml
functional-groups4R.rb
include.rb
loael-dataset-comparison-all-compounds.pdf
loael-dataset-comparison-common-compounds.pdf
loael-dataset-comparison.rb
loael-dataset-correlation.pdf
loael-variability.rb
loael.Rmd
loael.html
loael.md
loael.pdf
references.bib
rmse.rb
test-set-validation.rb