summaryrefslogtreecommitdiff
path: root/cv/data/csv/LOAEL_topological.csv
AgeCommit message (Collapse)Author
2012-03-28LOAEL(mol, corrected) 10-fold results of 32 jl4davor
Used same feature datasets as at table 28 jl4 with the corrected LOAEL data.
2012-03-26LOAEL(mg) ds and 10-fold results of 31 jl4davor
Algorithm param min_sim set to 0.3. Feature ds created with rfe(subsets between 0.3-0.7) from all numeric LOAEL ds.
2012-03-26LOAEL(mol) ds and results of 30 jl4davor
Algorithm param min_train_performance set to 0.2. Feature ds created with rfe(subsets between 0.3-0.7) from all numeric LOAEL ds.
2012-03-26LOAEL(mg) ds and results of 30 jl4davor
Algorithm param min_train_performance set to 0.2. Feature ds created with rfe(subsets between 0.3-0.7) from all numeric LOAEL ds.
2012-03-26LOAEL(mg, corrected) ds and results of 29 jl4davor
Feature ds created with rfe(subsets between 0.3-0.7) from all numeric LOAEL ds(corrected SMILES).
2012-03-26LOAEL(mg) ds and results of 28 jl4davor
Feature ds created with rfe(subsets between 0.3-0.7) from all numeric LOAEL ds.
2012-03-22LOAEL(mmol, corrected) ds and results of 29 jl4davor
Feature ds created with rfe(subsets between 0.3-0.7) from all numeric LOAEL ds(corrected SMILES).
2012-03-21LOAEL(mmol) dataset and results for 28jl4davor
Feature ds created with rfe(subsets between 0.3-0.7) from all numeric LOAEL ds.
2012-03-18Created new feature datasets (nominal features removed) with rfejl3davor
(method='repeatedcv', repeats=20, number=10, ntree=200).
2012-03-13Created new feature datasets (nominal features removed) with rfedavor
(method=cv and max 30 features)
2012-03-07Added newly created feature dataset files (rfe with new default setting,davor
method=cv and always less features) and updated dataset.yaml.
2012-03-04Added seleceted feature datasets for all datasets. Calculated by rfedavor
with max 30 descriptors.
2012-02-27Created all datasets on ot0 (jl branch) and updated/added featuredavor
datasets (electronic,cpsa, constitutional, topological, hybrid and joelib)
2012-02-10Created new feature dataset with feature selection algo and updatedAndreas Maunz
dataset.yaml
2012-02-10Removed missing features from feature datasets and updated dataset.yamlAndreas Maunz
2012-02-08Updated LOAEL feature datasets (removed "nominal" features)Andreas Maunz
2012-02-08Added LOAEL data and feature csv files (feature dataset with "nominal"Andreas Maunz
features)