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1 files changed, 809 insertions, 0 deletions
diff --git a/models/mutagenicity-cdk/crossvalidation/8/test-prediction.csv b/models/mutagenicity-cdk/crossvalidation/8/test-prediction.csv
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+++ b/models/mutagenicity-cdk/crossvalidation/8/test-prediction.csv
@@ -0,0 +1,809 @@
+Canonical SMILES,Experimental,Prediction,p-inactive,p-active,Max Simimilarity,Nr. Neighbors
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+CCc1nn(c(c1Cl)C(=O)N)C,,,,,,0
+C[C@H](c1ccccc1)O,,0,0.9179817323795955,0.0,0.9179817323795955,2
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+Cc1cccc2c1cc1ccccc1c2,,1,0.16216030249957683,0.8124424863233614,0.9746027888229383,6
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+C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,,,,,1.0,1
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+CNC(=O)N(c1ccccc1)c1ccccc1,,0,0.8035164911898336,0.07827828770462801,0.8817947788944617,11
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+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],,,,,0.7645373494776758,1
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