Removed missing features from feature datasets and updated dataset.yaml

5 files changed, 2610 insertions, 2610 deletions

diff --git a/cv/data/csv/FHM_constitutional.csv b/cv/data/csv/FHM_constitutional.csv
index 95b3412..b3d3da1 100644
--- a/cv/data/csv/FHM_constitutional.csv
+++ b/cv/data/csv/FHM_constitutional.csv
@@ -1,568 +1,568 @@
-SMILES,nAromBond,nB,nAtom,nRotB,MLogP,XLogP,LipinskiFailures,nAtomLC,nHBDon,ALogP,nAtomLAC,AMR,ALogp2,LipinksiFailures,nAtomP,naAromAtom
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\ No newline at end of file
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diff --git a/cv/data/csv/LOAEL_topological.csv b/cv/data/csv/LOAEL_topological.csv
index 44f13d6..f7eccca 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/csv/MDD_constitutional.csv b/cv/data/csv/MDD_constitutional.csv
index c5c1c52..e098c67 100644
--- a/cv/data/csv/MDD_constitutional.csv
+++ b/cv/data/csv/MDD_constitutional.csv
@@ -1,1196 +1,1196 @@
-SMILES,LipinskiFailures,nAtomLAC,nHBDon,nAtom,ALogp2,nAtomP,nAromBond,naAromAtom,ALogP,nAtomLC,nRotB,nB,XLogP,LipinksiFailures,MLogP,AMR
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diff --git a/cv/data/csv/MOU_constitutional.csv b/cv/data/csv/MOU_constitutional.csv
index 9d2e5a6..6489f64 100644
--- a/cv/data/csv/MOU_constitutional.csv
+++ b/cv/data/csv/MOU_constitutional.csv
@@ -1,402 +1,402 @@
-SMILES,nAtomP,nB,nAtomLC,naAromAtom,nAromBond,ALogP,nRotB,MLogP,XLogP,LipinskiFailures,ALogp2,AMR,nAtomLAC,nHBDon,nAtom,LipinksiFailures
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+InChI%3D1S%2FC3H7N3O3%2Fc4-3%288%296%285-9%291-2-7%2Fh7H%2C1-2H2%2C%28H2%2C4%2C8%29,6,8,9,0,0,-0.114100001752377,4,1.12999999523163,-0.857999980449677,0,0.0130188101902604,29.1236000061035,2,3,16
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+InChI%3D1S%2FC12H10FN%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C14H2,13,15,0,12,12,-0.27020001411438,1,2.55999994277954,4.11100006103516,0,0.0730080381035805,5.09460020065308,0,1,24
+InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,0,3,4,0,0,1.82099997997284,0,1.24000000953674,2.41199994087219,0,3.31604099273682,24.172700881958,0,0,5
diff --git a/cv/data/datasets.yaml b/cv/data/datasets.yaml
index f922ea4..196ef48 100644
--- a/cv/data/datasets.yaml
+++ b/cv/data/datasets.yaml
@@ -3,14 +3,14 @@
   "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",
+    "constitutional": "http://toxcreate3.in-silico.ch:8086/dataset/6881",
     "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",
+    "constitutional": "http://toxcreate3.in-silico.ch:8086/dataset/6883",
     "topological": "http://toxcreate3.in-silico.ch:8086/dataset/6247"
   },
   
@@ -28,7 +28,7 @@
     "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
+    "constitutional": "http://toxcreate3.in-silico.ch:8086/dataset/6884", # ALL
     "topological": "http://toxcreate3.in-silico.ch:8086/dataset/6256"  # A
   },
 
@@ -36,7 +36,7 @@
     "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/6716",
-    "topological": "http://toxcreate3.in-silico.ch:8086/dataset/6717"
+    "topological": "http://toxcreate3.in-silico.ch:8086/dataset/6893"
   }