diff options
Diffstat (limited to 'data/training_log10-cv-1.csv')
| -rw-r--r-- | data/training_log10-cv-1.csv | 155 |
1 files changed, 98 insertions, 57 deletions
diff --git a/data/training_log10-cv-1.csv b/data/training_log10-cv-1.csv index db88cc8..226e5ee 100644 --- a/data/training_log10-cv-1.csv +++ b/data/training_log10-cv-1.csv @@ -1,58 +1,99 @@ SMILES,LOAEL_measured_median,LOAEL_predicted,Prediction_interval_low,Prediction_interval_high -C[N]1(C)CCCCC1,-0.4564837711150284,-0.11839701195157529,-1.2540506461294996,0.3410831038994428 -CC(OC(=O)Nc1ccccc1)C,-0.009097936702771729,0.7909678031634652,-2.268952003381956,2.2507561299764123 -Clc1cc(N)c(c(n1)C(=O)O)Cl,0.17198133130954318,-0.6840010770259624,-0.13480364285591773,0.4787663054750041 -COC(=O)Nc1nc2c([nH]1)cc(cc2)Sc1ccccc1,0.3894094818235073,1.3000842641666306,-0.797956750391183,1.5767757140381975 -Clc1cc(ccc1Oc1ccc(c(c1)C(=O)[O-])[N+](=O)[O-])C(F)(F)F.[Na+],0.4419532382565241,0.3286512527182731,-0.13410324032338283,1.018009716836431 -Clc1cc(ccc1Oc1ccc(c(c1)C(=O)O)[N+](=O)[O-])C(F)(F)F,0.44294144160350096,0.4613885686555222,-1.051008001272546,1.9368908844795478 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