Updated LOAEL feature datasets (removed "nominal" features)

3 files changed, 913 insertions, 913 deletions

diff --git a/cv/data/csv/LOAEL_constitutional.csv b/cv/data/csv/LOAEL_constitutional.csv
index b24d596..a2244bc 100644
--- a/cv/data/csv/LOAEL_constitutional.csv
+++ b/cv/data/csv/LOAEL_constitutional.csv
@@ -1,440 +1,440 @@
-SMILES,nB,AMR,nAtom,nAtomLC,LipinskiFailures,nAtomLAC,LipinksiFailures,nAromBond,nHBDon,ALogP,ALogp2,nAtomP,naAromAtom,nRotB,MLogP,XLogP
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diff --git a/cv/data/csv/LOAEL_topological.csv b/cv/data/csv/LOAEL_topological.csv
index 43203ea..44f13d6 100644
--- a/cv/data/csv/LOAEL_topological.csv
+++ b/cv/data/csv/LOAEL_topological.csv
@@ -1,440 +1,440 @@
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diff --git a/cv/data/datasets.yaml b/cv/data/datasets.yaml
index 1ebdc94..f8e3797 100644
--- a/cv/data/datasets.yaml
+++ b/cv/data/datasets.yaml
@@ -1,42 +1,42 @@
 {
 
-  "MDD": {
-    "dataset": "http://toxcreate3.in-silico.ch:8086/dataset/6248",
-    "electronic,cpsa": "http://toxcreate3.in-silico.ch:8086/dataset/6250",
-    "constitutional": "http://toxcreate3.in-silico.ch:8086/dataset/6249",
-    "topological": "http://toxcreate3.in-silico.ch:8086/dataset/6251"
-  },
-  
-  "FHM": {
-    "dataset": "http://toxcreate3.in-silico.ch:8086/dataset/6244",
-    "electronic,cpsa": "http://toxcreate3.in-silico.ch:8086/dataset/6246",
-    "constitutional": "http://toxcreate3.in-silico.ch:8086/dataset/6245",
-    "topological": "http://toxcreate3.in-silico.ch:8086/dataset/6247"
-  },
-  
-  "RAT": {
-    "dataset": "http://toxcreate3.in-silico.ch:8086/dataset/6258",
-    "training": "http://toxcreate3.in-silico.ch:8086/dataset/6263",
-    "test": "http://toxcreate3.in-silico.ch:8086/dataset/6261",
-    "electronic,cpsa": "http://toxcreate3.in-silico.ch:8086/dataset/6260", # A
-    "constitutional": "http://toxcreate3.in-silico.ch:8086/dataset/6259", # A
-    "topological": "http://toxcreate3.in-silico.ch:8086/dataset/6262"  # N
-  },
-
-  "MOU": {
-    "dataset": "http://toxcreate3.in-silico.ch:8086/dataset/6252",
-    "training": "http://toxcreate3.in-silico.ch:8086/dataset/6257",
-    "test": "http://toxcreate3.in-silico.ch:8086/dataset/6255",
-    "electronic,cpsa": "http://toxcreate3.in-silico.ch:8086/dataset/6254", # A
-    "constitutional": "http://toxcreate3.in-silico.ch:8086/dataset/6253", # ALL
-    "topological": "http://toxcreate3.in-silico.ch:8086/dataset/6256"  # A
-  },
+#  "MDD": {
+#    "dataset": "http://toxcreate3.in-silico.ch:8086/dataset/6248",
+#    "electronic,cpsa": "http://toxcreate3.in-silico.ch:8086/dataset/6250",
+#    "constitutional": "http://toxcreate3.in-silico.ch:8086/dataset/6249",
+#    "topological": "http://toxcreate3.in-silico.ch:8086/dataset/6251"
+#  },
+#  
+#  "FHM": {
+#    "dataset": "http://toxcreate3.in-silico.ch:8086/dataset/6244",
+#    "electronic,cpsa": "http://toxcreate3.in-silico.ch:8086/dataset/6246",
+#    "constitutional": "http://toxcreate3.in-silico.ch:8086/dataset/6245",
+#    "topological": "http://toxcreate3.in-silico.ch:8086/dataset/6247"
+#  },
+#  
+#  "RAT": {
+#    "dataset": "http://toxcreate3.in-silico.ch:8086/dataset/6258",
+#    "training": "http://toxcreate3.in-silico.ch:8086/dataset/6263",
+#    "test": "http://toxcreate3.in-silico.ch:8086/dataset/6261",
+#    "electronic,cpsa": "http://toxcreate3.in-silico.ch:8086/dataset/6260", # A
+#    "constitutional": "http://toxcreate3.in-silico.ch:8086/dataset/6259", # A
+#    "topological": "http://toxcreate3.in-silico.ch:8086/dataset/6262"  # N
+#  },
+#
+#  "MOU": {
+#    "dataset": "http://toxcreate3.in-silico.ch:8086/dataset/6252",
+#    "training": "http://toxcreate3.in-silico.ch:8086/dataset/6257",
+#    "test": "http://toxcreate3.in-silico.ch:8086/dataset/6255",
+#    "electronic,cpsa": "http://toxcreate3.in-silico.ch:8086/dataset/6254", # A
+#    "constitutional": "http://toxcreate3.in-silico.ch:8086/dataset/6253", # ALL
+#    "topological": "http://toxcreate3.in-silico.ch:8086/dataset/6256"  # A
+#  },
 
   "LOAEL": {
     "dataset": "http://toxcreate3.in-silico.ch:8086/dataset/6576",
     "electronic,cpsa": "http://toxcreate3.in-silico.ch:8086/dataset/6714",
-    "constitutional": "http://toxcreate3.in-silico.ch:8086/dataset/6672",
-    "topological": "http://toxcreate3.in-silico.ch:8086/dataset/6673"
+    "constitutional": "http://toxcreate3.in-silico.ch:8086/dataset/6716",
+    "topological": "http://toxcreate3.in-silico.ch:8086/dataset/6717"
   }