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authordavor <vorgrimmlerdavid@gmx.de>2012-03-28 16:33:33 +0200
committerdavor <vorgrimmlerdavid@gmx.de>2012-03-28 16:33:33 +0200
commit3e9bb612a9a46ac57aee283148e6b06211ecfcd4 (patch)
treea4f15746954eeada2d0023fd0bab50e1e70fc26b
parentd7209ed36da8373678068da720a440ca9f49219f (diff)
LOAEL(mg, corrected) 10-fold results of 32 jl4
Used same feature datasets as at table 28 jl4 with the corrected LOAEL data.
-rw-r--r--cv/data/csv/LOAEL.csv19
-rw-r--r--cv/data/datasets.yaml2
-rw-r--r--cv/scripts/logs/LOAEL.log60
3 files changed, 43 insertions, 38 deletions
diff --git a/cv/data/csv/LOAEL.csv b/cv/data/csv/LOAEL.csv
index b267024..9e9c792 100644
--- a/cv/data/csv/LOAEL.csv
+++ b/cv/data/csv/LOAEL.csv
@@ -1,4 +1,4 @@
-SMILES,day
+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
@@ -124,6 +124,7 @@ InChI%3D1S%2FC22H18Cl2FNO3%2Fc1-22%282%2915%2811-19%2823%2924%2920%2822%2921%282
InChI%3D1S%2FC13H13Cl2N3O3%2Fc1-7%282%2916-12%2820%2917-6-11%2819%2918%2813%2817%2921%2910-4-8%2814%293-9%2815%295-10%2Fh3-5%2C7H%2C6H2%2C1-2H3%2C%28H%2C16%2C20%29,1.66275783168157
InChI%3D1S%2FC12H21N2O3PS%2Fc1-6-15-18%2819%2C16-7-2%2917-11-8-10%285%2913-12%2814-11%299%283%294%2Fh8-9H%2C6-7H2%2C1-5H3,0.176091259055681
InChI%3D1S%2FC12H21N2O3PS%2Fc1-6-15-18%2819%2C16-7-2%2917-11-8-10%285%2913-12%2814-11%299%283%294%2Fh8-9H%2C6-7H2%2C1-5H3,0.763427993562937
+InChI%3D1S%2FC6H13NO3S.Na%2Fc8-11%289%2C10%297-6-4-2-1-3-5-6%3B%2Fh6-7H%2C1-5H2%2C%28H%2C8%2C9%2C10%29%3B%2Fq%3B%2B1%2Fp-1,3.55654370848351
InChI%3D1S%2FC10H15OPS2%2Fc1-3-11-12%2813%2C4-2%2914-10-8-6-5-7-9-10%2Fh5-9H%2C3-4H2%2C1-2H3,0.198657086954423
InChI%3D1S%2FC10H15OPS2%2Fc1-3-11-12%2813%2C4-2%2914-10-8-6-5-7-9-10%2Fh5-9H%2C3-4H2%2C1-2H3,0.698970004336019
InChI%3D1S%2FC12H13NO2S%2Fc1-9-11%2816-8-7-15-9%2912%2814%2913-10-5-3-2-4-6-10%2Fh2-6H%2C7-8H2%2C1H3%2C%28H%2C13%2C14%29,1.47712125471966
@@ -168,6 +169,7 @@ InChI%3D1S%2FC12H12ClN5O4S%2Fc1-7-14-10%2817-12%2815-7%2922-2%2916-11%2819%2918-
InChI%3D1S%2FC10H12O3%2Fc1-2-7-13-10%2812%298-3-5-9%2811%296-4-8%2Fh3-6%2C11H%2C2%2C7H2%2C1H3,3.17609125905568
InChI%3D1S%2FCCl3F%2Fc2-1%283%2C4%295,2.54282542695918
InChI%3D1S%2FC10H11F3N2O%2Fc1-15%282%299%2816%2914-8-5-3-4-7%286-8%2910%2811%2C12%2913%2Fh3-6H%2C1-2H3%2C%28H%2C14%2C16%29,1.17609125905568
+InChI%3D1S%2FC48H72O14%2Fc1-11-25%282%2943-28%285%2917-18-47%2862-43%2923-34-20-33%2861-47%2916-15-27%284%2942%2826%283%2913-12-14-32-24-55-45-40%2849%2929%286%2919-35%2846%2851%2958-34%2948%2832%2C45%2952%2959-39-22-37%2854-10%2944%2831%288%2957-39%2960-38-21-36%2853-9%2941%2850%2930%287%2956-38%2Fh12-15%2C17-19%2C25-26%2C28%2C30-31%2C33-45%2C49-50%2C52H%2C11%2C16%2C20-24H2%2C1-10H3%2Ft25-%2C26-%2C28-%2C30-%2C31-%2C33%2B%2C34-%2C35-%2C36-%2C37-%2C38-%2C39-%2C40%2B%2C41-%2C42-%2C43%2B%2C44-%2C45%3F%2C47%2B%2C48%3F%2Fm0%2Fs1,0.301029995663981
InChI%3D1S%2FC8H19O2PS2%2Fc1-4-7-12-11%289%2C10-6-3%2913-8-5-2%2Fh4-8H2%2C1-3H3,0.431363764158987
InChI%3D1S%2FC12H6F2N2O2%2Fc13-12%2814%2917-10-3-1-2-8%2811%2810%2918-12%299-6-16-5-7%289%294-15%2Fh1-3%2C5-6%2C16H,2.04139268515822
InChI%3D1S%2FC4H10NO3PS%2Fc1-4%286%295-9%287%2C8-2%2910-3%2Fh1-3H3%2C%28H%2C5%2C6%2C7%29,1.54406804435028
@@ -243,6 +245,7 @@ InChI%3D1S%2FC8H6Cl2O3%2Fc1-13-7-5%2810%293-2-4%289%296%287%298%2811%2912%2Fh2-3
InChI%3D1S%2FC17H27NO3S%2Fc1-3-6-14%2818-21-4-2%2917-15%2819%299-13%2810-16%2817%2920%2912-7-5-8-22-11-12%2Fh12-13%2C18H%2C3-11H2%2C1-2H3,1.44715803134222
InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-4%288%296-5-3%2Fh1-2H%2C%28H%2C5%2C7%29%28H%2C6%2C8%29,2.69897000433602
InChI%3D1S%2FC14H19NO%2Fc1-5-16-11-6-7-13-12%288-11%2910%282%299-14%283%2C4%2915-13%2Fh6-9%2C15H%2C5H2%2C1-4H3,1.07918124604762
+InChI%3D1S%2FC14H7ClF3NO5.Na%2Fc15-10-5-7%2814%2816%2C17%2918%291-4-12%2810%2924-8-2-3-11%2819%2822%2923%299%286-8%2913%2820%2921%3B%2Fh1-6H%2C%28H%2C20%2C21%29%3B%2Fq%3B%2B1%2Fp-1,2.25527250510331
InChI%3D1S%2FC12H9ClF3N3O%2Fc1-17-9-6-18-19%2811%2820%2910%289%2913%298-4-2-3-7%285-8%2912%2814%2C15%2916%2Fh2-6%2C17H%2C1H3,1.27300127206374
InChI%3D1S%2FC12H9ClF3N3O%2Fc1-17-9-6-18-19%2811%2820%2910%289%2913%298-4-2-3-7%285-8%2912%2814%2C15%2916%2Fh2-6%2C17H%2C1H3,1.70969386972779
InChI%3D1S%2FC15H17Cl2N3O2%2Fc1-2-3-12-7-21-15%2822-12%2C8-20-10-18-9-19-20%2913-5-4-11%2816%296-14%2813%2917%2Fh4-6%2C9-10%2C12H%2C2-3%2C7-8H2%2C1H3,1.39794000867204
@@ -401,6 +404,7 @@ InChI%3D1S%2FC8H4O3%2Fc9-7-5-3-1-2-4-6%285%298%2810%2911-7%2Fh1-4H,3.07371835034
InChI%3D1S%2FC9H5Cl3N4%2Fc10-5-3-1-2-4-6%285%2913-9-15-7%2811%2914-8%2812%2916-9%2Fh1-4H%2C%28H%2C13%2C14%2C15%2C16%29,0.0606978403536116
InChI%3D1S%2FC15H18ClN3O%2Fc1-15%282%2C3%2914%2820%2913%2819-10-17-9-18-19%298-11-4-6-12%2816%297-5-11%2Fh4-10%2C14%2C20H%2C1-3H3,1.5956064348656
InChI%3D1S%2FC11H15NO2%2Fc1-7-5-8%282%299%283%2910%286-7%2914-11%2813%2912-4%2Fh5-6H%2C1-4H3%2C%28H%2C12%2C13%29,1.77232170672292
+InChI%3D1S%2FC42H70O35%2Fc43-1-8-29-15%2850%2922%2857%2936%2864-8%2972-30-9%282-44%2966-38%2824%2859%2917%2830%2952%2974-32-11%284-46%2968-40%2826%2861%2919%2832%2954%2976-34-13%286-48%2970-42%2828%2863%2921%2834%2956%2977-35-14%287-49%2969-41%2827%2862%2920%2835%2955%2975-33-12%285-47%2967-39%2825%2860%2918%2833%2953%2973-31-10%283-45%2965-37%2871-29%2923%2858%2916%2831%2951%2Fh8-63H%2C1-7H2,3.20411998265593
InChI%3D1S%2FC25H22ClNO3%2Fc1-17%282%2924%2818-11-13-20%2826%2914-12-18%2925%2828%2930-23%2816-27%2919-7-6-10-22%2815-19%2929-21-8-4-3-5-9-21%2Fh3-15%2C17%2C23-24H%2C1-2H3,1.39794000867204
InChI%3D1S%2FC2H6ClO3P%2Fc3-1-2-7%284%2C5%296%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,2.17609125905568
InChI%3D1S%2FC2H6ClO3P%2Fc3-1-2-7%284%2C5%296%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,2.64933485871214
@@ -476,6 +480,7 @@ InChI%3D1S%2FC12H18N4O6S%2Fc1-7%282%2914%288%283%294%2912-10%2815%2817%2918%295-
InChI%3D1S%2FC21H20Cl2O3%2Fc1-21%282%2917%2812-18%2822%2923%2919%2821%2920%2824%2925-13-14-7-6-10-16%2811-14%2926-15-8-4-3-5-9-15%2Fh3-12%2C17%2C19H%2C13H2%2C1-2H3,1.39794000867204
InChI%3D1S%2FC16H22ClN3O%2Fc1-15%282%2C3%2916%2821%2C10-20-12-18-11-19-20%299-8-13-4-6-14%2817%297-5-13%2Fh4-7%2C11-12%2C21H%2C8-10H2%2C1-3H3,1.20139712432045
InChI%3D1S%2FC12H11Cl2N3O2%2Fc13-9-1-2-10%2811%2814%295-9%2912%2818-3-4-19-12%296-17-8-15-7-16-17%2Fh1-2%2C5%2C7-8H%2C3-4%2C6H2,1.0
+InChI%3D1S%2FC18H16N2O8S2.2Na%2Fc1-10-7-14%2816%2828-2%299-17%2810%2930%2825%2C26%2927%2919-20-18-13-5-4-12%2829%2822%2C23%2924%298-11%2813%293-6-15%2818%2921%3B%3B%2Fh3-9%2C19H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2,3.57275546515422
InChI%3D1S%2FC9H12NO5PS%2Fc1-7-6-8%284-5-9%287%2910%2811%2912%2915-16%2817%2C13-2%2914-3%2Fh4-6H%2C1-3H3,-0.337242168318426
InChI%3D1S%2FC11H21NOS%2Fc1-3-12%2811%2813%2914-4-2%2910-8-6-5-7-9-10%2Fh10H%2C3-9H2%2C1-2H3,0.477121254719662
InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,2.11394335230684
@@ -503,17 +508,17 @@ InChI%3D1S%2FC11H10ClNO3S%2Fc1-2-16-9%2814%296-13-10-7%2812%294-3-5-8%2810%2917-
InChI%3D1S%2FC14H18N2O4%2Fc1-10-5-4-6-11%282%2913%2810%2916%2812%2817%299-19-3%2915-7-8-20-14%2815%2918%2Fh4-6H%2C7-9H2%2C1-3H3,1.69897000433602
InChI%3D1S%2FC14H17Cl2NO2%2Fc1-14%287-3-2-4-8-14%2913%2819%2917-9-5-6-10%2818%2912%2816%2911%289%2915%2Fh5-6%2C18H%2C2-4%2C7-8H2%2C1H3%2C%28H%2C17%2C19%29,2.46538285144842
InChI%3D1S%2FC8H10O%2Fc1-6-3-4-8%289%295-7%286%292%2Fh3-5%2C9H%2C1-2H3,1.14612803567824
-InChI%3D1S%2FC13H11N3%2Fc14-10-3-1-8-5-9-2-4-11%2815%297-13%289%2916-12%288%296-10%2Fh1-7H%2C14-15H2,1.67209785793572
-InChI%3D1S%2FC9H11BrN2O2%2Fc1-12%2814-2%299%2813%2911-8-5-3-7%2810%294-6-8%2Fh3-6H%2C1-2H3%2C%28H%2C11%2C13%29,1.09691001300806
InChI%3D1S%2FC8H14O4%2Fc1-5-4-8%2811-6%282%299%2912-7%283%2910-5%2Fh5%2C7-8H%2C4H2%2C1-3H3,2.09691001300806
+InChI%3D1S%2FC9H11BrN2O2%2Fc1-12%2814-2%299%2813%2911-8-5-3-7%2810%294-6-8%2Fh3-6H%2C1-2H3%2C%28H%2C11%2C13%29,1.09691001300806
+InChI%3D1S%2FC13H11N3%2Fc14-10-3-1-8-5-9-2-4-11%2815%297-13%289%2916-12%288%296-10%2Fh1-7H%2C14-15H2,1.67209785793572
InChI%3D1S%2FC7H16N%2Fc1-8%282%296-4-3-5-7-8%2Fh3-7H2%2C1-2H3,2.17609125905568
InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H,2.03342375548695
-InChI%3D1S%2FC5H10N2O2S%2Fc1-4%2810-3%297-9-5%288%296-2%2Fh1-3H3%2C%28H%2C6%2C8%29,1.0
-InChI%3D1S%2FC5H10N2O2S%2Fc1-4%2810-3%297-9-5%288%296-2%2Fh1-3H3%2C%28H%2C6%2C8%29,1.30102999566398
-InChI%3D1S%2FC14H18ClN3O2%2Fc1-14%282%2C3%2912%2819%2913%2818-9-16-8-17-18%2920-11-6-4-10%2815%295-7-11%2Fh4-9%2C12-13%2C19H%2C1-3H3,1.39794000867204
-InChI%3D1S%2FC14H18ClN3O2%2Fc1-14%282%2C3%2912%2819%2913%2818-9-16-8-17-18%2920-11-6-4-10%2815%295-7-11%2Fh4-9%2C12-13%2C19H%2C1-3H3,2.02118929906994
InChI%3D1S%2FC22H19Cl2NO3%2Fc1-22%282%2917%2812-19%2823%2924%2920%2822%2921%2826%2928-18%2813-25%2914-7-6-10-16%2811-14%2927-15-8-4-3-5-9-15%2Fh3-12%2C17-18%2C20H%2C1-2H3,1.8750612633917
InChI%3D1S%2FC22H19Cl2NO3%2Fc1-22%282%2917%2812-19%2823%2924%2920%2822%2921%2826%2928-18%2813-25%2914-7-6-10-16%2811-14%2927-15-8-4-3-5-9-15%2Fh3-12%2C17-18%2C20H%2C1-2H3,1.69897000433602
+InChI%3D1S%2FC14H18ClN3O2%2Fc1-14%282%2C3%2912%2819%2913%2818-9-16-8-17-18%2920-11-6-4-10%2815%295-7-11%2Fh4-9%2C12-13%2C19H%2C1-3H3,1.39794000867204
+InChI%3D1S%2FC14H18ClN3O2%2Fc1-14%282%2C3%2912%2819%2913%2818-9-16-8-17-18%2920-11-6-4-10%2815%295-7-11%2Fh4-9%2C12-13%2C19H%2C1-3H3,2.02118929906994
+InChI%3D1S%2FC5H10N2O2S%2Fc1-4%2810-3%297-9-5%288%296-2%2Fh1-3H3%2C%28H%2C6%2C8%29,1.0
+InChI%3D1S%2FC5H10N2O2S%2Fc1-4%2810-3%297-9-5%288%296-2%2Fh1-3H3%2C%28H%2C6%2C8%29,1.30102999566398
InChI%3D1S%2FC10H12N3O3PS2%2Fc1-15-17%2818%2C16-2%2919-7-13-10%2814%298-5-3-4-6-9%288%2911-12-13%2Fh3-6H%2C7H2%2C1-2H3,-0.443697499232713
InChI%3D1S%2FC10H12N3O3PS2%2Fc1-15-17%2818%2C16-2%2919-7-13-10%2814%298-5-3-4-6-9%288%2911-12-13%2Fh3-6H%2C7H2%2C1-2H3,0.352182518111362
InChI%3D1S%2FC10H12N3O3PS2%2Fc1-15-17%2818%2C16-2%2919-7-13-10%2814%298-5-3-4-6-9%288%2911-12-13%2Fh3-6H%2C7H2%2C1-2H3,0.41161970596323
diff --git a/cv/data/datasets.yaml b/cv/data/datasets.yaml
index 42b55c9..a683fd5 100644
--- a/cv/data/datasets.yaml
+++ b/cv/data/datasets.yaml
@@ -45,7 +45,7 @@
},
"LOAEL": {
- "dataset": "http://toxcreate3.in-silico.ch:8080/dataset/84400",
+ "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/141118",
diff --git a/cv/scripts/logs/LOAEL.log b/cv/scripts/logs/LOAEL.log
index f20b585..094b57b 100644
--- a/cv/scripts/logs/LOAEL.log
+++ b/cv/scripts/logs/LOAEL.log
@@ -1,42 +1,42 @@
-20120323_21_: LOAEL topological local_svm_regression ;min_sim=0.5 1
-ruby CV_ds_pctype_algo_rseed_LOAEL.rb LOAEL topological local_svm_regression ;min_sim=0.5 1 ../data/datasets_old_LOAEL_mol_allnum_rfe.yaml
-[2012-03-24T01:24:56.3689Z] datasets_old_LOAEL_mol_allnum_rfe.yaml exists.
-[2012-03-24T01:24:56.3692Z] --- prediction_algorithm=local_svm_regression;pc_type=topological;feature_dataset_uri=http://toxcreate3.in-silico.ch:8080/dataset/130603;min_sim=0.5
-[2012-03-24T01:24:56.3751Z] ---
-:dataset_uri: http://toxcreate3.in-silico.ch:8080/dataset/9
-:prediction_feature: http://toxcreate3.in-silico.ch:8080/dataset/9/feature/LOAEL_mol/kg_bw/day
+20120324_13_: 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_rfe.yaml
+[2012-03-24T12:28:10.2474Z] datasets_new_LOAEL_mg_allnum_old_rfe.yaml exists.
+[2012-03-24T12:28:10.2477Z] --- prediction_algorithm=local_svm_regression;pc_type=topological;feature_dataset_uri=http://toxcreate3.in-silico.ch:8080/dataset/141118
+[2012-03-24T12:28:10.3074Z] ---
+: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
: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/130603;min_sim=0.5
+:algorithm_params: prediction_algorithm=local_svm_regression;pc_type=topological;feature_dataset_uri=http://toxcreate3.in-silico.ch:8080/dataset/141118
:stratified: false
:random_seed: "1"
-[2012-03-24T02:43:55.8555Z] http://toxcreate3.in-silico.ch:8080/validation/crossvalidation/374
-[2012-03-24T02:44:16.8227Z] http://toxcreate3.in-silico.ch:8080/validation/report/crossvalidation/433
+[2012-03-24T14:33:27.3072Z] http://toxcreate3.in-silico.ch:8080/validation/crossvalidation/380
+[2012-03-24T14:33:48.2781Z] http://toxcreate3.in-silico.ch:8080/validation/report/crossvalidation/439
-20120323_21_: LOAEL joelib local_svm_regression ;min_sim=0.5 1
-ruby CV_ds_pctype_algo_rseed_LOAEL.rb LOAEL joelib local_svm_regression ;min_sim=0.5 1 ../data/datasets_old_LOAEL_mol_allnum_rfe.yaml
-[2012-03-24T02:44:17.7286Z] datasets_old_LOAEL_mol_allnum_rfe.yaml exists.
-[2012-03-24T02:44:17.7289Z] --- prediction_algorithm=local_svm_regression;pc_type=joelib;feature_dataset_uri=http://toxcreate3.in-silico.ch:8080/dataset/130604;min_sim=0.5
-[2012-03-24T02:44:17.7354Z] ---
-:dataset_uri: http://toxcreate3.in-silico.ch:8080/dataset/9
-:prediction_feature: http://toxcreate3.in-silico.ch:8080/dataset/9/feature/LOAEL_mol/kg_bw/day
+20120324_13_: 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_rfe.yaml
+[2012-03-24T14:33:49.4034Z] datasets_new_LOAEL_mg_allnum_old_rfe.yaml exists.
+[2012-03-24T14:33:49.4036Z] --- prediction_algorithm=local_svm_regression;pc_type=joelib;feature_dataset_uri=http://toxcreate3.in-silico.ch:8080/dataset/141119
+[2012-03-24T14:33:49.4731Z] ---
+: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
: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/130604;min_sim=0.5
+:algorithm_params: prediction_algorithm=local_svm_regression;pc_type=joelib;feature_dataset_uri=http://toxcreate3.in-silico.ch:8080/dataset/141119
:stratified: false
:random_seed: "1"
-[2012-03-24T03:32:55.5022Z] http://toxcreate3.in-silico.ch:8080/validation/crossvalidation/376
-[2012-03-24T03:33:08.3589Z] http://toxcreate3.in-silico.ch:8080/validation/report/crossvalidation/435
+[2012-03-24T15:22:14.9393Z] http://toxcreate3.in-silico.ch:8080/validation/crossvalidation/382
+[2012-03-24T15:22:27.1653Z] http://toxcreate3.in-silico.ch:8080/validation/report/crossvalidation/441
-20120323_21_: LOAEL all_pc local_svm_regression ;min_sim=0.5 1
-ruby CV_ds_pctype_algo_rseed_LOAEL.rb LOAEL all_pc local_svm_regression ;min_sim=0.5 1 ../data/datasets_old_LOAEL_mol_allnum_rfe.yaml
-[2012-03-24T03:33:10.4609Z] datasets_old_LOAEL_mol_allnum_rfe.yaml exists.
-[2012-03-24T03:33:10.4612Z] --- prediction_algorithm=local_svm_regression;pc_type=all_pc;feature_dataset_uri=http://toxcreate3.in-silico.ch:8080/dataset/130606;min_sim=0.5
-[2012-03-24T03:33:10.4705Z] ---
-:dataset_uri: http://toxcreate3.in-silico.ch:8080/dataset/9
-:prediction_feature: http://toxcreate3.in-silico.ch:8080/dataset/9/feature/LOAEL_mol/kg_bw/day
+20120324_13_: 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_rfe.yaml
+[2012-03-24T15:22:28.2665Z] datasets_new_LOAEL_mg_allnum_old_rfe.yaml exists.
+[2012-03-24T15:22:28.2668Z] --- prediction_algorithm=local_svm_regression;pc_type=all_pc;feature_dataset_uri=http://toxcreate3.in-silico.ch:8080/dataset/143723
+[2012-03-24T15:22:28.2733Z] ---
+: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
: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/130606;min_sim=0.5
+:algorithm_params: prediction_algorithm=local_svm_regression;pc_type=all_pc;feature_dataset_uri=http://toxcreate3.in-silico.ch:8080/dataset/143723
:stratified: false
:random_seed: "1"
-[2012-03-24T05:39:11.2868Z] http://toxcreate3.in-silico.ch:8080/validation/crossvalidation/378
-[2012-03-24T05:39:51.2886Z] http://toxcreate3.in-silico.ch:8080/validation/report/crossvalidation/436
+[2012-03-24T17:58:25.6266Z] http://toxcreate3.in-silico.ch:8080/validation/crossvalidation/384
+[2012-03-24T17:58:56.5233Z] http://toxcreate3.in-silico.ch:8080/validation/report/crossvalidation/443