From 51f57e2858b60bed74ebcc97189b2188c900c283 Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Fri, 6 May 2016 12:49:28 +0200 Subject: dataset tests cleanup --- test/data/LOAEL_log_mg_corrected_smiles.csv | 568 ---------------------------- 1 file changed, 568 deletions(-) delete mode 100644 test/data/LOAEL_log_mg_corrected_smiles.csv (limited to 'test/data/LOAEL_log_mg_corrected_smiles.csv') diff --git a/test/data/LOAEL_log_mg_corrected_smiles.csv b/test/data/LOAEL_log_mg_corrected_smiles.csv deleted file mode 100644 index 22e6824..0000000 --- a/test/data/LOAEL_log_mg_corrected_smiles.csv +++ /dev/null @@ -1,568 +0,0 @@ -SMILES,LOAEL_log_mg_kg_bw_day -C1=C(C(=CC(=C1NN=C3C2=C(C=C([S]([O-])(=O)=O)C=C2)C=CC3=O)OC)[S]([O-])(=O)=O)C.[Na+].[Na+],3.57275546515422 -O1C(=O)C(O)=C(O)C1C(O)CO,3.48444220764241 -C1(C)=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)OC)C(C)(C)CCC1,2.69897000433602 -c(cccc1)(c1)C(C)C,2.66464197555613 -O=C(OCCCC)c(c(ccc1)C(=O)OCCCC)c1,2.77815125038364 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