diff options
Diffstat (limited to 'data/training-test-predictions.csv')
| -rw-r--r-- | data/training-test-predictions.csv | 176 |
1 files changed, 26 insertions, 150 deletions
diff --git a/data/training-test-predictions.csv b/data/training-test-predictions.csv index 286af74..4a54539 100644 --- a/data/training-test-predictions.csv +++ b/data/training-test-predictions.csv @@ -1,151 +1,27 @@ SMILES,LOAEL_measured_median,LOAEL_predicted,Error,Dataset -OC(=O)CNCP(=O)(O)O,-0.745051357794347,0.15438269350276548,0.8994340512971124,test-prediction -Oc1ccccc1c1ccccc1,-0.4941128329258674,-0.06947211940849923,0.42464071351736815,test-prediction -CC(OC(=O)Nc1cccc(c1)Cl)C,-0.36925297501043064,1.1530732651927855,1.522326240203216,test-prediction -OC(=O)COc1nc(F)c(c(c1Cl)N)Cl,-0.2923668466362255,0.9785967480578445,1.27096359469407,test-prediction -CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,-0.20016624636310748,0.236516975197276,0.43668322156038347,test-prediction -COc1cccc(c1C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,-0.04743064015554219,0.3813277364013723,0.4287583765569145,test-prediction -ClCCP(=O)(O)O,0.01317015194810528,-0.4238193903646712,0.4369895423127765,test-prediction 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