diff options
Diffstat (limited to 'data/training_log10-cv-2.csv')
| -rw-r--r-- | data/training_log10-cv-2.csv | 611 |
1 files changed, 611 insertions, 0 deletions
diff --git a/data/training_log10-cv-2.csv b/data/training_log10-cv-2.csv new file mode 100644 index 0000000..9ebc767 --- /dev/null +++ b/data/training_log10-cv-2.csv @@ -0,0 +1,611 @@ +SMILES,LOAEL_measured_median,LOAEL_predicted,Prediction_interval_low,Prediction_interval_high +CCCCCCCCCCCCCCCCCC(=O)OCC(C1OCC(C1O)O)O,-1.5301933173948155,-1.2234180569052944,-3.32249757543299,0.26211094064335905 +CCCCCCCCCCCC(=O)OCC(C1OCC(C1O)O)O,-1.4761720108282461,-1.2981322917796099,-3.192534059600561,0.24019003794406868 +OCC(C1OC(=O)C(=C1O)O)O,-1.1262983634398667,-1.0921270756293922,, +OCC(CCl)O,-0.9327526384152737,1.28425735093239,-2.1503864214383905,0.2848811446078433 +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,-0.8512344014779509,-0.5791888919086445,-3.126840977030918,1.4243721740750164 +NC1CC(N=C(C(=O)O)N)C(OC1OC1C(O)C(O)C(C(C1O)O)O)C,-0.7241172900528751,0.5145909236774223,, 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