diff options
Diffstat (limited to 'data/combined-test-predictions.csv')
| -rw-r--r-- | data/combined-test-predictions.csv | 295 |
1 files changed, 149 insertions, 146 deletions
diff --git a/data/combined-test-predictions.csv b/data/combined-test-predictions.csv index bcaa321..db503b2 100644 --- a/data/combined-test-predictions.csv +++ b/data/combined-test-predictions.csv @@ -1,148 +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,0.00013611,0.039022538851494495,1,combined-prediction -OC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.00027647,0.03948339076478926,1,combined-prediction -CCOP(=S)(SCSC(C)(C)C)OCC,0.00027736000000000004,0.008473186895938114,1,combined-prediction -CCSCSP(=S)(OCC)OCC,0.00061449,0.004623522683397091,1,combined-prediction -CCOP(=O)(SC(CC)C)SC(CC)C,0.000872805,0.0031944720357688604,1,combined-prediction -CNC(=O)CSP(=S)(OC)OC,0.0010905,0.0038098395044751563,1,combined-prediction -COP(=O)(SC)N,0.0020549,0.09818424679489751,1,combined-prediction -CSc1ccc(cc1C)OP(=S)(OC)OC,0.00210185,0.00988572562602097,1,combined-prediction 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