From 8767db9bdd768ba5cc305516fe5e74b6855fcaaf Mon Sep 17 00:00:00 2001 From: Andreas Maunz Date: Sun, 12 Feb 2012 14:10:35 +0100 Subject: Updated y-values of LOAEL to log(mol) --- cv/data/csv/LOAEL.csv | 1136 ++++++++++++++++++++++++------------------------- cv/data/datasets.yaml | 2 +- 2 files changed, 569 insertions(+), 569 deletions(-) diff --git a/cv/data/csv/LOAEL.csv b/cv/data/csv/LOAEL.csv index d3c92a8..31687c0 100644 --- a/cv/data/csv/LOAEL.csv +++ b/cv/data/csv/LOAEL.csv @@ -1,568 +1,568 @@ -SMILES,LOAEL_log_mg/kg_bw/day -'COc1cc(c(C)cc1N=Nc2c(O)ccc3cc(ccc23)S(OH)(=O)=O)S(OH)(=O)=O',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 -'O=C(OCC)c(c(ccc1)C(=O)OCC)c1',3.64689362416774 -'O=C(OC(OC(OC1C)C)C1)C',2.09691001300806 -'Oc(c(ccc1)C)c1C',0.778151250383644 -'Oc(ccc(c1C)C)c1',1.14612803567824 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"http://toxcreate3.in-silico.ch:8086/dataset/6833", "topological": "http://toxcreate3.in-silico.ch:8086/dataset/6905" -- cgit v1.2.3