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Diffstat (limited to 'data/training-test-predictions.csv')
| -rw-r--r-- | data/training-test-predictions.csv | 151 |
1 files changed, 151 insertions, 0 deletions
diff --git a/data/training-test-predictions.csv b/data/training-test-predictions.csv new file mode 100644 index 0000000..ca34b33 --- /dev/null +++ b/data/training-test-predictions.csv @@ -0,0 +1,151 @@ +SMILES,LOAEL_measured_median,LOAEL_predicted,Confidence,Dataset +N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.00013611,0.01148216373256843,1,training-prediction +OC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.00027647,0.012370470701925899,1,training-prediction +CCOP(=S)(SCSC(C)(C)C)OCC,0.00027736000000000004,0.003520511683277722,1,training-prediction +CCSCSP(=S)(OCC)OCC,0.00061449,0.0007932432885978219,1,training-prediction +CCOP(=O)(SC(CC)C)SC(CC)C,0.000872805,0.005020259791233174,1,training-prediction +CNC(=O)CSP(=S)(OC)OC,0.0010905,0.009515127939063834,1,training-prediction +COP(=O)(SC)N,0.0020549,0.33146588454802073,1,training-prediction +CSc1ccc(cc1C)OP(=S)(OC)OC,0.00210185,0.0052770620054827895,1,training-prediction 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