diff options
Diffstat (limited to 'data/training-test-predictions.csv')
| -rw-r--r-- | data/training-test-predictions.csv | 275 |
1 files changed, 127 insertions, 148 deletions
diff --git a/data/training-test-predictions.csv b/data/training-test-predictions.csv index a9be9df..c4433bf 100644 --- a/data/training-test-predictions.csv +++ b/data/training-test-predictions.csv @@ -1,148 +1,127 @@ -SMILES,LOAEL_measured_median,LOAEL_predicted,RMSE,Dataset -N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.00013611,0.01148216373256843,2.50203588100455,training-prediction -OC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.00027647,0.012370470701925918,2.96678720091176,training-prediction -CCOP(=S)(SCSC(C)(C)C)OCC,0.00027736000000000004,0.003520511683277722,4.096959657662574,training-prediction -CCSCSP(=S)(OCC)OCC,0.00061449,0.0007932432885978227,4.143716547104354,training-prediction -CCOP(=O)(SC(CC)C)SC(CC)C,0.000872805,0.005020259791233163,3.141528174312553,training-prediction -CNC(=O)CSP(=S)(OC)OC,0.0010905,0.009515127939063834,2.7248472071072367,training-prediction -COP(=O)(SC)N,0.0020549,0.33146588454802073,3.9057367218938923,training-prediction 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