LOAEL(mol, corrected) 10-fold result of 33 jl2jl2

Used corrected LOAEL data to create jl2 feature datasets.

6 files changed, 1973 insertions, 1985 deletions

diff --git a/cv/data/csv/LOAEL.csv b/cv/data/csv/LOAEL.csv
index 9e9c792..1eb1018 100644
--- a/cv/data/csv/LOAEL.csv
+++ b/cv/data/csv/LOAEL.csv
@@ -1,568 +1,568 @@
-SMILES,LOAEL_log_mg_kg_bw_day
-InChI%3D1S%2FC13H12BrCl2N3O%2Fc14-9-4-13%2820-5-9%2C6-19-8-17-7-18-19%2911-2-1-10%2815%293-12%2811%2916%2Fh1-3%2C7-9H%2C4-6H2,0.811575005870593
-InChI%3D1S%2FC12H14N2%2Fc1-13-7-3-11%284-8-13%2912-5-9-14%282%2910-6-12%2Fh3-10H%2C1-2H3,0.574031267727719
-InChI%3D1S%2FC12H14N2%2Fc1-13-7-3-11%284-8-13%2912-5-9-14%282%2910-6-12%2Fh3-10H%2C1-2H3,0.406540180433955
-InChI%3D1S%2FC14H9Cl5O%2Fc15-11-5-1-9%282-6-11%2913%2820%2C14%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C20H,1.30102999566398
-InChI%3D1S%2FC14H9Cl5O%2Fc15-11-5-1-9%282-6-11%2913%2820%2C14%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C20H,0.397940008672038
-InChI%3D1S%2FC20H22N4O6S%2Fc1-28-12-17%2825%2921-16-11-14%2831-13-7-5-4-6-8-13%299-10-15%2816%2922-18%2823-19%2826%2929-2%2924-20%2827%2930-3%2Fh4-11H%2C12H2%2C1-3H3%2C%28H%2C21%2C25%29%28H2%2C22%2C23%2C24%2C26%2C27%29,1.60205999132796
-InChI%3D1S%2FC10H9Cl4NO2S%2Fc11-9%2812%2910%2813%2C14%2918-15-7%2816%295-3-1-2-4-6%285%298%2815%2917%2Fh1-2%2C5-6%2C9H%2C3-4H2,1.07918124604762
-InChI%3D1S%2FC10H9Cl4NO2S%2Fc11-9%2812%2910%2813%2C14%2918-15-7%2816%295-3-1-2-4-6%285%298%2815%2917%2Fh1-2%2C5-6%2C9H%2C3-4H2,1.17609125905568
-InChI%3D1S%2FC7H12ClN5%2Fc1-3-9-6-11-5%288%2912-7%2813-6%2910-4-2%2Fh3-4H2%2C1-2H3%2C%28H2%2C9%2C10%2C11%2C12%2C13%29,0.698970004336019
-InChI%3D1S%2FC7H12ClN5%2Fc1-3-9-6-11-5%288%2912-7%2813-6%2910-4-2%2Fh3-4H2%2C1-2H3%2C%28H2%2C9%2C10%2C11%2C12%2C13%29,0.724275869600789
-InChI%3D1S%2FC8H6Cl2O3%2Fc9-5-1-2-7%286%2810%293-5%2913-4-8%2811%2912%2Fh1-3H%2C4H2%2C%28H%2C11%2C12%29,0.698970004336019
-InChI%3D1S%2FC15H12F3NO4S%2Fc1-24%2821%2C22%2912-6-9%2815%2816%2C17%2918%294-5-10%2812%2913%2820%2911-7-19-23-14%2811%298-2-3-8%2Fh4-8H%2C2-3H2%2C1H3,1.30102999566398
-InChI%3D1S%2FC16H12ClF4N3O4%2Fc1-2-22%288-10-11%2817%294-3-5-12%2810%2918%2915-13%2823%2825%2926%296-9%2816%2819%2C20%2921%297-14%2815%2924%2827%2928%2Fh3-7H%2C2%2C8H2%2C1H3,1.69897000433602
-InChI%3D1S%2FC10H12O%2Fc1-3-4-9-5-7-10%2811-2%298-6-9%2Fh3-8H%2C1-2H3,2.53655844257153
-InChI%3D1S%2FC24H38O4%2Fc1-5-9-13-19%287-3%2917-27-23%2825%2921-15-11-12-16-22%2821%2924%2826%2928-18-20%288-4%2914-10-6-2%2Fh11-12%2C15-16%2C19-20H%2C5-10%2C13-14%2C17-18H2%2C1-4H3,2.30102999566398
-InChI%3D1S%2FC15H11BrClF3N2O%2Fc1-2-23-8-22-13%289-3-5-10%2817%296-4-9%2911%287-21%2912%2816%2914%2822%2915%2818%2C19%2920%2Fh3-6H%2C2%2C8H2%2C1H3,1.13353890837022
-InChI%3D1S%2FC2H3Cl3O2%2Fc3-2%284%2C5%291%286%297%2Fh1%2C6-7H,2.13033376849501
-InChI%3D1S%2FC14H16ClN5O5S%2Fc1-9-16-12%2819-14%2817-9%2924-2%2918-13%2821%2920-26%2822%2C23%2911-6-4-3-5-10%2811%2925-8-7-15%2Fh3-6H%2C7-8H2%2C1-2H3%2C%28H2%2C16%2C17%2C18%2C19%2C20%2C21%29,2.34399906905716
-InChI%3D1S%2FC19H22FN3O%2Fc20-17-8-6-16%287-9-17%2918%2824%294-3-11-22-12-14-23%2815-13-22%2919-5-1-2-10-21-19%2Fh1-2%2C5-10H%2C3-4%2C11-15H2,2.06069784035361
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-InChI%3D1S%2FC17H14ClF7O2%2Fc1-6-11%2819%2913%2821%297%2814%2822%2912%286%2920%295-27-15%2826%2910-8%2816%2810%2C2%293%294-9%2818%2917%2823%2C24%2925%2Fh4%2C8%2C10H%2C5H2%2C1-3H3,0.662757831681574
-InChI%3D1S%2FC14H12FNO3%2Fc1-7-2-3-8-4-9%2815%295-10-12%288%2916%287%296-11%2813%2810%2917%2914%2818%2919%2Fh4-7H%2C2-3H2%2C1H3%2C%28H%2C18%2C19%29,2.60205999132796
-InChI%3D1S%2FC13H15N3O3%2Fc1-7%282%2913%283%2912%2819%2915-10%2816-13%299-8%2811%2817%2918%295-4-6-14-9%2Fh4-7H%2C1-3H3%2C%28H%2C17%2C18%29%28H%2C15%2C16%2C19%29,2.69897000433602
-InChI%3D1S%2FC9H7N3S%2Fc1-6-3-2-4-7-8%286%2912-5-10-11-9%2812%2913-7%2Fh2-5H%2C1H3,1.49136169383427
-InChI%3D1S%2FC2H7O3P%2Fc1-4-6%283%295-2%2Fh6H%2C1-2H3,2.0
-InChI%3D1S%2FC16H14Cl2O3%2Fc1-2-21-15%2819%2916%2820%2C11-3-7-13%2817%298-4-11%2912-5-9-14%2818%2910-6-12%2Fh3-10%2C20H%2C2H2%2C1H3,1.26481782300954
-InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H,3.0
-InChI%3D1S%2FC11H15NO2%2Fc1-7-5-10%2814-11%2813%2912-4%296-8%282%299%287%293%2Fh5-6H%2C1-4H3%2C%28H%2C12%2C13%29,1.0
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-InChI%3D1S%2FC6H8N2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H%2C7-8H2,1.39794000867204
-InChI%3D1S%2FC14H16ClN3O2%2Fc1-14%282%2C3%2912%2819%2913%2818-9-16-8-17-18%2920-11-6-4-10%2815%295-7-11%2Fh4-9%2C13H%2C1-3H3,1.39794000867204
-InChI%3D1S%2FC14H16ClN3O2%2Fc1-14%282%2C3%2912%2819%2913%2818-9-16-8-17-18%2920-11-6-4-10%2815%295-7-11%2Fh4-9%2C13H%2C1-3H3,2.05690485133647
-InChI%3D1S%2FC12H10Cl2F3NO%2Fc13-5-7-6-18%2811%2819%2910%287%2914%299-3-1-2-8%284-9%2912%2815%2C16%2917%2Fh1-4%2C7%2C10H%2C5-6H2,0.698970004336019
-InChI%3D1S%2FC8H10N2O4S%2Fc1-14-8%2811%2910-15%2812%2C13%297-4-2-6%289%293-5-7%2Fh2-5H%2C9H2%2C1H3%2C%28H%2C10%2C11%29,2.25527250510331
-InChI%3D1S%2FC17H9Cl3N4O2%2Fc18-10-3-1-9%282-4-10%2911%287-21%2915-12%2819%295-6-13%2816%2815%2920%2924-17%2826%2923-14%2825%298-22-24%2Fh1-6%2C8%2C11H%2C%28H%2C23%2C25%2C26%29,1.17609125905568
-InChI%3D1S%2FC17H9Cl3N4O2%2Fc18-10-3-1-9%282-4-10%2911%287-21%2915-12%2819%295-6-13%2816%2815%2920%2924-17%2826%2923-14%2825%298-22-24%2Fh1-6%2C8%2C11H%2C%28H%2C23%2C25%2C26%29,1.36172783601759
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-InChI%3D1S%2FC4H6O2%2Fc1-3%282%294%285%296%2Fh1H2%2C2H3%2C%28H%2C5%2C6%29,2.39445168082622
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\ No newline at end of file
diff --git a/cv/data/csv/LOAEL_all_pc.csv b/cv/data/csv/LOAEL_all_pc.csv
index 8a736ec..f95f65a 100644
--- a/cv/data/csv/LOAEL_all_pc.csv
+++ b/cv/data/csv/LOAEL_all_pc.csv
@@ -1,445 +1,445 @@
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\ No newline at end of file
diff --git a/cv/data/csv/LOAEL_joelib.csv b/cv/data/csv/LOAEL_joelib.csv
index 04c87e9..4efdf79 100644
--- a/cv/data/csv/LOAEL_joelib.csv
+++ b/cv/data/csv/LOAEL_joelib.csv
@@ -1,445 +1,445 @@
-SMILES,TopologicalDiameter,NumberOfBonds,PolarSurfaceArea,FractionRotatableBonds,MolarRefractivity,AromaticBonds,ZagrebIndex1,MolecularWeight,HeavyBonds,NumberOfHal,HBD2,KierShape1,NumberOfAtoms,KierShape2,HBA1,RotatableBonds,KierShape3,GraphShapeCoefficient,HBA2,LogP
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\ No newline at end of file
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\ No newline at end of file
diff --git a/cv/data/csv/LOAEL_topological.csv b/cv/data/csv/LOAEL_topological.csv
index c2105dc..4990afe 100644
--- a/cv/data/csv/LOAEL_topological.csv
+++ b/cv/data/csv/LOAEL_topological.csv
@@ -1,445 +1,445 @@
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\ No newline at end of file
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+InChI%3D1S%2FC22H23ClN2O9%2Fc1-21%2833%2911-6%2823%294-5-7%2826%298%2811%2915%2827%299-12%2821%2917%2829%2913-14%2825%282%293%2916%2828%2910%2820%2824%2932%2919%2831%2922%2813%2C34%2918%289%2930%2Fh4-5%2C12-14%2C17%2C26-27%2C29%2C32-34H%2C24H2%2C1-3H3,83.0,0.0,4.0,201.850006103516,0.0,0.0,1.0,0.0,0.0,0.833333313465118,0.962012469768524,3.0,8.0,1.0,0.0,27.0460186004639,25.6518173217773,-0.161313682794571,6.67383241653442,0.0,0.0,198.0,-0.00809720903635025,15.610725402832,0.844213604927063,0.0,10.8556604385376,8.79084300994873,6.0,0.0,0.0,4.28878307342529,21.2103939056396,3.51734066009521,-0.364670753479004,16.2487964630127,0.0837651267647743,0.262891709804535,36.0773658752441,-0.260594606399536,14.2458972930908,0.275249153375626,1.99774813652039,616.0,4.47846221923828,6.59288120269775,13.4533796310425,0.0,0.254297226667404,7.35136604309082,0.0,2.0,0.0,10.9685115814209,0.0,10.6620197296143,0.0,7.58956289291382,0.0,0.0,5.71649074554443,0.0,0.151780605316162,1.0,0.0,0.679380238056183,0.935397028923035,0.0,0.0,6.0,2.0,33.2407188415527,1.0,0.0,11.3824100494385,6.08746290206909,19.0305862426758,0.0,10.562237739563,0.0,9.58513164520264,0.0,2359.1201171875,2.07464027404785,7.38569402694702,0.0,0.0,49.4029502868652,1.0,0.096824586391449,0.200000002980232,6.01271295547485,42.6053047180176,0.663078248500824,0.0,73.2652435302734,0.058705773204565,2696.0,0.0,4.43105220794678,3037.45874023438,3.0,102.415489196777,0.454545468091965,0.0,0.0,2.89141702651978,3883.44995117188,0.650697648525238,127.433067321777,1.0,1.93312275409698,6366.54833984375,0.0,0.0,0.0,3.0,1.0,0.0,7939.1787109375,0.812641024589539,0.0,7994.6630859375,9.74951362609863,8.0,1.59069108963013,2.0,0.0,0.0,0.0,0.25,0.0
\ No newline at end of file
diff --git a/cv/data/datasets.yaml b/cv/data/datasets.yaml
index a4f6172..e697667 100644
--- a/cv/data/datasets.yaml
+++ b/cv/data/datasets.yaml
@@ -1,57 +1,45 @@
 {
-
-  "MDD": {
-    "dataset": "http://toxcreate3.in-silico.ch:8080/dataset/14"  #,
-#    "electronic,cpsa": "http://toxcreate3.in-silico.ch:8080/dataset/",
-#    "constitutional": "http://toxcreate3.in-silico.ch:8080/dataset/",
-#    "topological": "http://toxcreate3.in-silico.ch:8080/dataset/",
-#    "hybrid": "http://toxcreate3.in-silico.ch:8080/dataset/",
-#    "joelib": "http://toxcreate3.in-silico.ch:8080/dataset/",
-#    "all_pc": "http://toxcreate3.in-silico.ch:8080/dataset/"
-  },
-  
-  "FHM": {
-    "dataset": "http://toxcreate3.in-silico.ch:8080/dataset/6",
-    "electronic,cpsa": "http://toxcreate3.in-silico.ch:8080/dataset/83",
-    "constitutional": "http://toxcreate3.in-silico.ch:8080/dataset/87",
-    "topological": "http://toxcreate3.in-silico.ch:8080/dataset/96",
-    "hybrid": "http://toxcreate3.in-silico.ch:8080/dataset/100",
-    "joelib": "http://toxcreate3.in-silico.ch:8080/dataset/84",
-    "all_pc": "http://toxcreate3.in-silico.ch:8080/dataset/115"
-  },
-  
-  "RAT": {
-    "dataset": "http://toxcreate3.in-silico.ch:8080/dataset/7",
-    "training": "http://toxcreate3.in-silico.ch:8080/dataset/12",
-    "test": "http://toxcreate3.in-silico.ch:8080/dataset/13",
-    "electronic,cpsa": "http://toxcreate3.in-silico.ch:8080/dataset/99",
-    "constitutional": "http://toxcreate3.in-silico.ch:8080/dataset/112",
-    "topological": "http://toxcreate3.in-silico.ch:8080/dataset/109",
-    "hybrid": "http://toxcreate3.in-silico.ch:8080/dataset/107",
-    "joelib": "http://toxcreate3.in-silico.ch:8080/dataset/90",
-    "all_pc": "http://toxcreate3.in-silico.ch:8080/dataset/3409"
-  },
-
-  "MOU": {
-    "dataset": "http://toxcreate3.in-silico.ch:8080/dataset/8",
-    "training": "http://toxcreate3.in-silico.ch:8080/dataset/10",
-    "test": "http://toxcreate3.in-silico.ch:8080/dataset/11",
-    "electronic,cpsa": "http://toxcreate3.in-silico.ch:8080/dataset/97",
-    "constitutional": "http://toxcreate3.in-silico.ch:8080/dataset/102",
-    "topological": "http://toxcreate3.in-silico.ch:8080/dataset/108",
-    "hybrid": "http://toxcreate3.in-silico.ch:8080/dataset/103",
-    "joelib": "http://toxcreate3.in-silico.ch:8080/dataset/94",
-    "all_pc": "http://toxcreate3.in-silico.ch:8080/dataset/2273"
-  },
-
-  "LOAEL": {
-    "dataset": "http://toxcreate3.in-silico.ch:8080/dataset/120089",
-    "electronic,cpsa": "http://toxcreate3.in-silico.ch:8080/dataset/141114",
-    "constitutional": "http://toxcreate3.in-silico.ch:8080/dataset/141120",
-    "topological": "http://toxcreate3.in-silico.ch:8080/dataset/185800",
-#    "hybrid": "http://toxcreate3.in-silico.ch:8080/dataset/",
-    "joelib": "http://toxcreate3.in-silico.ch:8080/dataset/185802",
-    "all_pc": "http://toxcreate3.in-silico.ch:8080/dataset/185805"
-  }
-
+    "FHM": {
+      "electronic,cpsa": "http://toxcreate3.in-silico.ch:8080/dataset/94027",
+      "topological": "http://toxcreate3.in-silico.ch:8080/dataset/94028",
+      "dataset": "http://toxcreate3.in-silico.ch:8080/dataset/6",
+      "joelib": "http://toxcreate3.in-silico.ch:8080/dataset/94029",
+      "hybrid": "http://toxcreate3.in-silico.ch:8080/dataset/46238",
+      "constitutional": "http://toxcreate3.in-silico.ch:8080/dataset/94030",
+      "all_pc": "http://toxcreate3.in-silico.ch:8080/dataset/94031"
+    },
+    "MDD": {
+      "dataset": "http://toxcreate3.in-silico.ch:8080/dataset/14"
+    },
+    "RAT": {
+      "electronic,cpsa": "http://toxcreate3.in-silico.ch:8080/dataset/94032",
+      "topological": "http://toxcreate3.in-silico.ch:8080/dataset/94033",
+      "dataset": "http://toxcreate3.in-silico.ch:8080/dataset/7",
+      "joelib": "http://toxcreate3.in-silico.ch:8080/dataset/94034",
+      "hybrid": "http://toxcreate3.in-silico.ch:8080/dataset/52151",
+      "training": "http://toxcreate3.in-silico.ch:8080/dataset/12",
+      "constitutional": "http://toxcreate3.in-silico.ch:8080/dataset/94035",
+      "test": "http://toxcreate3.in-silico.ch:8080/dataset/13",
+      "all_pc": "http://toxcreate3.in-silico.ch:8080/dataset/94036"
+    },
+    "LOAEL": {
+      "dataset": "http://toxcreate3.in-silico.ch:8080/dataset/120088",
+      "electronic,cpsa": "http://toxcreate3.in-silico.ch:8080/dataset/130523",
+      "constitutional": "http://toxcreate3.in-silico.ch:8080/dataset/130605",
+      "topological": "http://toxcreate3.in-silico.ch:8080/dataset/185801",
+      "hybrid": "http://toxcreate3.in-silico.ch:8080/dataset/111",
+      "joelib": "http://toxcreate3.in-silico.ch:8080/dataset/185803",
+      "all_pc": "http://toxcreate3.in-silico.ch:8080/dataset/185806"
+    },
+    "MOU": {
+      "electronic,cpsa": "http://toxcreate3.in-silico.ch:8080/dataset/94042",
+      "topological": "http://toxcreate3.in-silico.ch:8080/dataset/94043",
+      "dataset": "http://toxcreate3.in-silico.ch:8080/dataset/8",
+      "joelib": "http://toxcreate3.in-silico.ch:8080/dataset/94044",
+      "hybrid": "http://toxcreate3.in-silico.ch:8080/dataset/49337",
+      "training": "http://toxcreate3.in-silico.ch:8080/dataset/10",
+      "constitutional": "http://toxcreate3.in-silico.ch:8080/dataset/94045",
+      "test": "http://toxcreate3.in-silico.ch:8080/dataset/11",
+      "all_pc": "http://toxcreate3.in-silico.ch:8080/dataset/94046"
+    }
 }
diff --git a/cv/scripts/logs/LOAEL.log b/cv/scripts/logs/LOAEL.log
index 5c01ad1..3bf868a 100644
--- a/cv/scripts/logs/LOAEL.log
+++ b/cv/scripts/logs/LOAEL.log
@@ -1,42 +1,42 @@
 20120325_22_: LOAEL topological local_svm_regression nil 1
-ruby CV_ds_pctype_algo_rseed_LOAEL.rb LOAEL topological local_svm_regression nil 1 ../data/datasets_new_LOAEL_mg_allnum_old_rfe2.yaml
-[2012-03-25T20:20:07.3443Z] datasets_new_LOAEL_mg_allnum_old_rfe2.yaml exists.
-[2012-03-25T20:20:07.3445Z] --- prediction_algorithm=local_svm_regression;pc_type=topological;feature_dataset_uri=http://toxcreate3.in-silico.ch:8080/dataset/185800
-[2012-03-25T20:20:07.3818Z] --- 
-:dataset_uri: http://toxcreate3.in-silico.ch:8080/dataset/120089
-:prediction_feature: http://toxcreate3.in-silico.ch:8080/dataset/120089/feature/LOAEL_log_mg_kg_bw_day
+ruby CV_ds_pctype_algo_rseed_LOAEL_dv.rb LOAEL topological local_svm_regression nil 1 ../data/datasets_new_LOAEL_mol_allnum_old_rfe2.yaml
+[2012-03-25T20:20:36.8577Z] datasets_new_LOAEL_mol_allnum_old_rfe2.yaml exists.
+[2012-03-25T20:20:36.8580Z] --- prediction_algorithm=local_svm_regression;pc_type=topological;feature_dataset_uri=http://toxcreate3.in-silico.ch:8080/dataset/185801
+[2012-03-25T20:20:36.9218Z] --- 
+:dataset_uri: http://toxcreate3.in-silico.ch:8080/dataset/120088
+:prediction_feature: http://toxcreate3.in-silico.ch:8080/dataset/120088/feature/LOAEL_log_mmol_kg_bw_day
 :algorithm_uri: http://toxcreate3.in-silico.ch:8080/algorithm/lazar
-:algorithm_params: prediction_algorithm=local_svm_regression;pc_type=topological;feature_dataset_uri=http://toxcreate3.in-silico.ch:8080/dataset/185800
+:algorithm_params: prediction_algorithm=local_svm_regression;pc_type=topological;feature_dataset_uri=http://toxcreate3.in-silico.ch:8080/dataset/185801
 :stratified: false
 :random_seed: "1"
-[2012-03-25T21:40:23.6780Z] http://toxcreate3.in-silico.ch:8080/validation/crossvalidation/385
-[2012-03-25T21:40:45.0129Z] http://toxcreate3.in-silico.ch:8080/validation/report/crossvalidation/444
+[2012-03-25T22:06:08.9986Z] http://toxcreate3.in-silico.ch:8080/validation/crossvalidation/386
+[2012-03-25T22:06:34.6099Z] http://toxcreate3.in-silico.ch:8080/validation/report/crossvalidation/445
 
 20120325_22_: LOAEL joelib local_svm_regression nil 1
-ruby CV_ds_pctype_algo_rseed_LOAEL.rb LOAEL joelib local_svm_regression nil 1 ../data/datasets_new_LOAEL_mg_allnum_old_rfe2.yaml
-[2012-03-25T21:40:46.3455Z] datasets_new_LOAEL_mg_allnum_old_rfe2.yaml exists.
-[2012-03-25T21:40:46.3458Z] --- prediction_algorithm=local_svm_regression;pc_type=joelib;feature_dataset_uri=http://toxcreate3.in-silico.ch:8080/dataset/185802
-[2012-03-25T21:40:46.3540Z] --- 
-:dataset_uri: http://toxcreate3.in-silico.ch:8080/dataset/120089
-:prediction_feature: http://toxcreate3.in-silico.ch:8080/dataset/120089/feature/LOAEL_log_mg_kg_bw_day
+ruby CV_ds_pctype_algo_rseed_LOAEL_dv.rb LOAEL joelib local_svm_regression nil 1 ../data/datasets_new_LOAEL_mol_allnum_old_rfe2.yaml
+[2012-03-25T22:06:35.5910Z] datasets_new_LOAEL_mol_allnum_old_rfe2.yaml exists.
+[2012-03-25T22:06:35.5914Z] --- prediction_algorithm=local_svm_regression;pc_type=joelib;feature_dataset_uri=http://toxcreate3.in-silico.ch:8080/dataset/185803
+[2012-03-25T22:06:35.6013Z] --- 
+:dataset_uri: http://toxcreate3.in-silico.ch:8080/dataset/120088
+:prediction_feature: http://toxcreate3.in-silico.ch:8080/dataset/120088/feature/LOAEL_log_mmol_kg_bw_day
 :algorithm_uri: http://toxcreate3.in-silico.ch:8080/algorithm/lazar
-:algorithm_params: prediction_algorithm=local_svm_regression;pc_type=joelib;feature_dataset_uri=http://toxcreate3.in-silico.ch:8080/dataset/185802
+:algorithm_params: prediction_algorithm=local_svm_regression;pc_type=joelib;feature_dataset_uri=http://toxcreate3.in-silico.ch:8080/dataset/185803
 :stratified: false
 :random_seed: "1"
-[2012-03-25T22:30:06.3168Z] http://toxcreate3.in-silico.ch:8080/validation/crossvalidation/387
-[2012-03-25T22:30:18.5146Z] http://toxcreate3.in-silico.ch:8080/validation/report/crossvalidation/446
+[2012-03-25T22:54:06.3993Z] http://toxcreate3.in-silico.ch:8080/validation/crossvalidation/388
+[2012-03-25T22:54:20.1434Z] http://toxcreate3.in-silico.ch:8080/validation/report/crossvalidation/447
 
 20120325_22_: LOAEL all_pc local_svm_regression nil 1
-ruby CV_ds_pctype_algo_rseed_LOAEL.rb LOAEL all_pc local_svm_regression nil 1 ../data/datasets_new_LOAEL_mg_allnum_old_rfe2.yaml
-[2012-03-25T22:30:19.4904Z] datasets_new_LOAEL_mg_allnum_old_rfe2.yaml exists.
-[2012-03-25T22:30:19.4907Z] --- prediction_algorithm=local_svm_regression;pc_type=all_pc;feature_dataset_uri=http://toxcreate3.in-silico.ch:8080/dataset/185805
-[2012-03-25T22:30:19.4973Z] --- 
-:dataset_uri: http://toxcreate3.in-silico.ch:8080/dataset/120089
-:prediction_feature: http://toxcreate3.in-silico.ch:8080/dataset/120089/feature/LOAEL_log_mg_kg_bw_day
+ruby CV_ds_pctype_algo_rseed_LOAEL_dv.rb LOAEL all_pc local_svm_regression nil 1 ../data/datasets_new_LOAEL_mol_allnum_old_rfe2.yaml
+[2012-03-25T22:54:21.1870Z] datasets_new_LOAEL_mol_allnum_old_rfe2.yaml exists.
+[2012-03-25T22:54:21.1872Z] --- prediction_algorithm=local_svm_regression;pc_type=all_pc;feature_dataset_uri=http://toxcreate3.in-silico.ch:8080/dataset/185806
+[2012-03-25T22:54:21.1963Z] --- 
+:dataset_uri: http://toxcreate3.in-silico.ch:8080/dataset/120088
+:prediction_feature: http://toxcreate3.in-silico.ch:8080/dataset/120088/feature/LOAEL_log_mmol_kg_bw_day
 :algorithm_uri: http://toxcreate3.in-silico.ch:8080/algorithm/lazar
-:algorithm_params: prediction_algorithm=local_svm_regression;pc_type=all_pc;feature_dataset_uri=http://toxcreate3.in-silico.ch:8080/dataset/185805
+:algorithm_params: prediction_algorithm=local_svm_regression;pc_type=all_pc;feature_dataset_uri=http://toxcreate3.in-silico.ch:8080/dataset/185806
 :stratified: false
 :random_seed: "1"
-[2012-03-26T00:11:45.5506Z] http://toxcreate3.in-silico.ch:8080/validation/crossvalidation/389
-[2012-03-26T00:12:11.3307Z] http://toxcreate3.in-silico.ch:8080/validation/report/crossvalidation/448
+[2012-03-26T00:32:11.8855Z] http://toxcreate3.in-silico.ch:8080/validation/crossvalidation/390
+[2012-03-26T00:32:33.7984Z] http://toxcreate3.in-silico.ch:8080/validation/report/crossvalidation/449