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lazar
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development
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feature/pure
feature_classes
fminer
loael-paper
master
mutagenicity-paper
mutanew
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triples_data_entries
without_mongodb
Ruby libraries for the lazar predictive toxicology framework
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Author
2015-10-30
added csv encode option windows-1251:utf-8
v7-nestec
gebele
2015-10-29
Removed comment.
davor
2015-10-29
Added molecular weight to compound and mg conversions
davor
2015-10-29
check for whitespaces in smiles
Christoph Helma
2015-10-29
avoid duplicated obconversion in from_smiles
gebele
2015-10-28
always collect neighbors even if database hit
gebele
2015-10-19
GridFS storage for data_entries removed (will break kazius/fminer models), la...
Christoph Helma
2015-10-08
new environment variable LAZAR_ENV for databases and log levels
Christoph Helma
2015-10-08
crossvalidation plots, original classification confidence
Christoph Helma
2015-10-07
Merge branch 'development' of github.com:opentox/lazar into development
Christoph Helma
2015-10-07
confidence = similarity to nearest neighbor
Christoph Helma
2015-10-07
generalised fingerprints
Christoph Helma
2015-09-30
fixed typo
gebele
2015-09-25
added helper method 'dimension' for nested arrays
gebele
2015-09-24
mean method for Arrays
Christoph Helma
2015-09-24
fixed missing model_algorithm in experiments
Christoph Helma
2015-09-23
validations fixed (all models were executed with default parameters)
Christoph Helma
2015-09-18
import of datasets without features fixed
Christoph Helma
2015-09-18
fix for empty values
Christoph Helma
2015-09-17
neighbor calculation moved to Compound class
Christoph Helma
2015-09-16
generic openbabel fingerprints
Christoph Helma
2015-09-16
repeated crossvalidations, improved experiment reports
Christoph Helma
2015-09-14
training_dataset moved to base Model class
Christoph Helma
2015-09-14
attr_accessor :training_dataset removed in Lazar models
Christoph Helma
2015-09-14
classification? and regression? methods for Model::Prediction
Christoph Helma
2015-09-10
tests fixed (crossvalidations may fail due to memory constraints)
Christoph Helma
2015-09-09
fminer classification fixed
Christoph Helma
2015-08-27
Initial GUI for Nestec models
Christoph Helma
2015-08-26
Parallel Crossvalidations
Christoph Helma
2015-08-25
Experiments added
Christoph Helma
2015-08-24
Model::Prediction with tests, initial indexes
v0.0.8
Christoph Helma
2015-08-20
crossvalidation fixes
v0.0.7
Christoph Helma
2015-08-19
name conversion fixed
v1.0.0beta1
Christoph Helma
2015-08-19
hydrogens added for 3d generation
Christoph Helma
2015-08-19
libfminer rpath fixed, installation instructions
Christoph Helma
2015-08-18
initial installation fixes, installs on Debian 3.16.7
ch
2015-08-18
first attempt at installing openbabel from github
Christoph Helma
2015-08-13
majority of tests working
Christoph Helma
2015-08-13
OpenBabel can (canonical smiles) instead of inchi as internal identifier to a...
Christoph Helma
2015-08-10
algorithm libraries added, fminer tests pass
Christoph Helma
2015-08-10
transfer to new git project started
Christoph Helma
2015-08-09
customized prediction algorithms implemented
Christoph Helma
2015-08-07
SMARTS_InteLigand.txt added
Christoph Helma
2015-08-07
initial k-nn weighted average implementation
Christoph Helma
2015-08-03
initial classification validation
Christoph Helma
2015-08-01
50 times faster bbrc setup by eliminating @fminer.add_fminer_data
Christoph Helma
2015-07-31
intermediary commit
Christoph Helma
2015-07-31
descriptor tests working
Christoph Helma
2015-07-29
kazius lazar predictions working
Christoph Helma
2015-07-29
bbrc features for kazius with minfreq 20 successfully created and stored
Christoph Helma
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