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Data and experiments for the manuscript https://doi.org/10.3389/fphar.2018.00413
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Author
2018-03-23
obsolete html version removed
HEAD
master
Christoph Helma
2018-03-23
duplicated paragraph removed
revision
Christoph Helma
2018-03-19
paper revision links fixed
Christoph Helma
2018-03-16
use expressly revision tag for links
gebele
2018-03-16
adjusted link destination for 10-fold crossvalidation code example
gebele
2018-03-16
adjusted link destination for neighbor elimination code example
gebele
2018-03-16
changed link destination for similarity tanimoto
gebele
2018-03-16
changed link destination for MP2D fingerprints
gebele
2018-03-16
adjusted link destinations
gebele
2018-03-15
first revision
Christoph Helma
2018-03-13
text revisions
Christoph Helma
2018-01-26
initial cleanup
submission
Christoph Helma
2018-01-26
final proof before submission
Christoph Helma
2018-01-15
FSVO co-authors and fig2 caption
Christoph Helma
2018-01-10
remaining manuscript fixes
Christoph Helma
2018-01-02
typos and inconsistencies fixed
Christoph Helma
2017-12-20
database names in figures
Christoph Helma
2017-12-20
benoits comments
Christoph Helma
2017-12-18
abstract, tex file added
Christoph Helma
2017-12-16
references added
Christoph Helma
2017-12-15
benoit text integration
Christoph Helma
2017-12-07
nestle contributions: introduction and methods
Christoph Helma
2017-04-14
docx adjusted in Makefile
Christoph Helma
2017-04-14
inter dataset sd in mg units
Christoph Helma
2017-04-13
figure legends improved
Christoph Helma
2017-02-16
final models, rf, sim 0.5 and 0.1
Christoph Helma
2017-02-14
rf models, sim 0.5, no weighted average
Christoph Helma
2017-02-14
pls models, sim 0.5, no weighted average
Christoph Helma
2017-02-14
rf models, similarity 0.1
Christoph Helma
2017-02-13
adjustments for latest lazar version
Christoph Helma
2017-02-09
directories restructured
Christoph Helma
2016-03-04
prediction interval, discussion
Christoph Helma
2016-03-02
repeated crossvalidations
Christoph Helma
2016-03-01
functional groups with threshold 25
Christoph Helma
2016-03-01
pls regression with caret tune
Christoph Helma
2016-03-01
svm regression with caret tune, no crossvalidation
Christoph Helma
2016-02-29
local_fingerprint_regression with svm radial basis
Christoph Helma
2016-02-29
local_fingerprint_regression with pls (reference)
Christoph Helma
2016-02-29
new repository, only loael paper content
Christoph Helma
2016-02-29
validation fixed, more regression models
Christoph Helma
2016-02-23
Martins contribution
Christoph Helma
2016-02-17
validations, figures, text finalisation started
Christoph Helma
2016-02-16
test set predictions
Christoph Helma
2016-02-16
dataset creation
Christoph Helma
2016-02-13
improved handling of duplicates in validations
Christoph Helma
2016-02-12
first revision from elena
Christoph Helma
2016-02-12
initial paper layout
Christoph Helma
2016-01-26
basic paper structure
Christoph Helma
2016-01-14
paper additions, LOAEL-rat-combined
Christoph Helma
2015-12-15
activity comparison of datasets
Christoph Helma
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