From 0611a96624240c4fa894dc6c6d51ab515fabacc9 Mon Sep 17 00:00:00 2001
From: gebele <gebele@in-silico.ch>
Date: Thu, 21 Sep 2017 12:01:42 +0000
Subject: added TD50 datasets

---
 classification/kazius.json       |   6 +-
 regression/Mouse_TD50_log10.csv  | 403 ++++++++++++++++++++++++++++++
 regression/Mouse_TD50_log10.json |  10 +
 regression/Rat_TD50_log10.csv    | 512 +++++++++++++++++++++++++++++++++++++++
 regression/Rat_TD50_log10.json   |  10 +
 5 files changed, 940 insertions(+), 1 deletion(-)
 create mode 100644 regression/Mouse_TD50_log10.csv
 create mode 100644 regression/Mouse_TD50_log10.json
 create mode 100644 regression/Rat_TD50_log10.csv
 create mode 100644 regression/Rat_TD50_log10.json

diff --git a/classification/kazius.json b/classification/kazius.json
index 4f4304e..1f6efb3 100644
--- a/classification/kazius.json
+++ b/classification/kazius.json
@@ -1,5 +1,9 @@
 {
   "species": "Salmonella typhimurium",
   "endpoint": "Mutagenicity",
-  "source": "http://cheminformatics.org/datasets/"
+  "source": "http://cheminformatics.org/datasets/",
+  "qmrf": {
+      "group": "QMRF 4.10. Mutagenicity",
+      "name": "OECD 471 Bacterial Reverse Mutation Test"
+    }
 }
diff --git a/regression/Mouse_TD50_log10.csv b/regression/Mouse_TD50_log10.csv
new file mode 100644
index 0000000..feef8e5
--- /dev/null
+++ b/regression/Mouse_TD50_log10.csv
@@ -0,0 +1,403 @@
+SMILES,-log10(TD50)
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diff --git a/regression/Mouse_TD50_log10.json b/regression/Mouse_TD50_log10.json
new file mode 100644
index 0000000..61b39e5
--- /dev/null
+++ b/regression/Mouse_TD50_log10.json
@@ -0,0 +1,10 @@
+{
+  "species": "Mouse (TD50)",
+  "endpoint": "Carcinogenicity",
+  "source": "http://www.epa.gov/ncct/dsstox/sdf_cpdbas.html",
+  "unit": "mmol/kg_bw/day",
+  "qmrf": {
+    "group": "QMRF 4.12. Carcinogenicity",
+    "name": "OECD 451 Carcinogenicity Studies"
+  }
+}
diff --git a/regression/Rat_TD50_log10.csv b/regression/Rat_TD50_log10.csv
new file mode 100644
index 0000000..36f6cb8
--- /dev/null
+++ b/regression/Rat_TD50_log10.csv
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diff --git a/regression/Rat_TD50_log10.json b/regression/Rat_TD50_log10.json
new file mode 100644
index 0000000..88c2c6e
--- /dev/null
+++ b/regression/Rat_TD50_log10.json
@@ -0,0 +1,10 @@
+{
+  "species": "Rat (TD50)",
+  "endpoint": "Carcinogenicity",
+  "source": "http://www.epa.gov/ncct/dsstox/sdf_cpdbas.html",
+  "unit": "mmol/kg_bw/day",
+  "qmrf": {
+    "group": "QMRF 4.12. Carcinogenicity",
+    "name": "OECD 451 Carcinogenicity Studies"
+  }
+}
-- 
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