diff options
Diffstat (limited to 'data/training_log10-cv-1.csv')
| -rw-r--r-- | data/training_log10-cv-1.csv | 612 |
1 files changed, 612 insertions, 0 deletions
diff --git a/data/training_log10-cv-1.csv b/data/training_log10-cv-1.csv new file mode 100644 index 0000000..971088d --- /dev/null +++ b/data/training_log10-cv-1.csv @@ -0,0 +1,612 @@ +SMILES,LOAEL_measured_median,LOAEL_predicted,Prediction_interval_low,Prediction_interval_high +CCCCCCCCCCCCCCCCCC(=O)OCC(C1OCC(C1O)O)O,-1.5990308971340794,-1.2234180569052944,-3.3787001957270544,0.18063840145889576 +CCCCCCCCCCCC(=O)OCC(C1OCC(C1O)O)O,-1.506935118297497,-1.2981322917796099,-3.5670067396209735,0.5531365030259794 +OCC(C1OC(=O)C(=C1O)O)O,-0.9621435906796685,-1.0921270756293922,-3.9472508661364274,2.0229636847770904 +OCC(CCl)O,-0.9132277483131674,1.28425735093239,-2.043910044935811,0.21745454830947586 +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,, +CC1CCC(C(C1)O)C(C)C,-0.851234401477951,-0.5791888919086445,-2.878879473571272,1.1764106706153696 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