From d542e9fe92567c54423f39904111bd5293236416 Mon Sep 17 00:00:00 2001
From: Christoph Helma <helma@in-silico.ch>
Date: Wed, 26 Aug 2015 14:20:23 +0200
Subject: Parallel Crossvalidations

---
 test/data/LOAEL_log_mmol_corrected_smiles.csv | 1132 ++++++++++++-------------
 1 file changed, 566 insertions(+), 566 deletions(-)

(limited to 'test/data/LOAEL_log_mmol_corrected_smiles.csv')

diff --git a/test/data/LOAEL_log_mmol_corrected_smiles.csv b/test/data/LOAEL_log_mmol_corrected_smiles.csv
index 237830e..6b85e0f 100644
--- a/test/data/LOAEL_log_mmol_corrected_smiles.csv
+++ b/test/data/LOAEL_log_mmol_corrected_smiles.csv
@@ -1,568 +1,568 @@
 SMILES,LOAEL_log_mmol_kg_bw_day
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-'O1C(=O)C(O)=C(O)C1C(O)CO',1.76137662853832
-'C1(C)=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)OC)C(C)(C)CCC1',2.95101092705237
-'c(cccc1)(c1)C(C)C',2.41523206875268
-'O=C(OCCCC)c(c(ccc1)C(=O)OCCCC)c1',2.66642980233607
-'O=C(OCC)c(c(ccc1)C(=O)OCC)c1',1.69992305435084
-'O=C(OC(OC(OC1C)C)C1)C',3.14412407646651
-'Oc(c(ccc1)C)c1C',4.30879341594785
-'Oc(ccc(c1C)C)c1',3.94081663065326
-'O=C(OCC)C=C',2.60605102798022
-'c(cccc1)(c1)CC',2.41532120099855
-'OCCO',2.39492662325430
-'c(ccc1C(=O)OCC(=O)OCC)cc1C(=O)OCC',2.04964162538818
-'O=C',2.56368333860036
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-- 
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