From 0882c2cd0de934d7377fc9d08c306be98612c88a Mon Sep 17 00:00:00 2001 From: "helma@in-silico.ch" Date: Fri, 16 Nov 2018 18:42:42 +0100 Subject: real datasets for testing, test data cleanup, Daphnia import, upper and lower similarity thresholds --- test/data/loael_log10.csv | 568 ---------------------------------------------- 1 file changed, 568 deletions(-) delete mode 100644 test/data/loael_log10.csv (limited to 'test/data/loael_log10.csv') diff --git a/test/data/loael_log10.csv b/test/data/loael_log10.csv deleted file mode 100644 index 1ec6097..0000000 --- a/test/data/loael_log10.csv +++ /dev/null @@ -1,568 +0,0 @@ -SMILES,-log10(LOAEL) -ClC12C3C4(C(C1(Cl)Cl)(C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,4.708504130518071 -ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C=C2)(Cl)Cl)Cl,4.562185669729957 -ClC1C2OC2C2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl,4.1923634710095 -ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl,3.881851594670563 -N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,3.862477026836483 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