diff options
Diffstat (limited to 'data/training_log10-cv-0.csv')
| -rw-r--r-- | data/training_log10-cv-0.csv | 610 |
1 files changed, 610 insertions, 0 deletions
diff --git a/data/training_log10-cv-0.csv b/data/training_log10-cv-0.csv new file mode 100644 index 0000000..6e0ab8b --- /dev/null +++ b/data/training_log10-cv-0.csv @@ -0,0 +1,610 @@ +SMILES,LOAEL_measured_median,LOAEL_predicted,Prediction_interval_low,Prediction_interval_high +CCCCCCCCCCCC(=O)OCC(C1OCC(C1O)O)O,-1.5307740959083627,-1.2981322917796099,-3.4627865539316303,0.40123836211490493 +CCCCCCCCCCCCCCCCCC(=O)OCC(C1OCC(C1O)O)O,-1.512714164600583,-1.2234180569052944,-3.1810724347862798,0.15564410558511366 +OCC(C1OC(=O)C(=C1O)O)O,-0.9621435906796683,-1.0921270756293922,-3.776182992163612,1.8518958108042753 +CC1CCC(C(C1)O)C(C)C,-0.9493952282383763,-0.5791888919086445,-2.897045254048865,0.9982547975721122 +OCC(CCl)O,-0.9132277483131674,1.28425735093239,-2.1468041415080488,0.3203486448817139 +CN(C1C(=O)C(=C(O)N)C(=O)C2(C1CC1C(=C(O)c3c(C1(C)O)cccc3O)C2=O)O)C,-0.878131679479195,0.47171335503894035,, +OCCO,-0.8201710957149932,-1.1709068089307477,-4.140304415932159,2.4999622245021733 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