From 35e4ac2fbe4c76c599715d264f0fdb9ef7857173 Mon Sep 17 00:00:00 2001
From: Christoph Helma <helma@in-silico.ch>
Date: Thu, 8 Oct 2015 10:29:18 +0200
Subject: updated models with repeated crossvalidation

---
 create_nestec_models.rb                            |  12 ++++++++----
 dump/opentox/compounds.bson                        | Bin 415165 -> 853904 bytes
 dump/opentox/crossvalidations.bson                 | Bin 50250 -> 209432 bytes
 dump/opentox/datasets.bson                         | Bin 337904 -> 916968 bytes
 dump/opentox/features.bson                         | Bin 66204 -> 567 bytes
 dump/opentox/fs.chunks.bson                        | Bin 990603 -> 1388508 bytes
 dump/opentox/fs.files.bson                         | Bin 24835 -> 54600 bytes
 dump/opentox/models.bson                           | Bin 14752 -> 44578 bytes
 dump/opentox/open_tox_model_predictions.bson       | Bin 669 -> 810 bytes
 dump/opentox/repeatedcrossvalidations.bson         | Bin 0 -> 444 bytes
 .../opentox/repeatedcrossvalidations.metadata.json |   1 +
 dump/opentox/system.indexes.bson                   | Bin 882 -> 969 bytes
 dump/opentox/validations.bson                      | Bin 55908 -> 226570 bytes
 13 files changed, 9 insertions(+), 4 deletions(-)
 create mode 100644 dump/opentox/repeatedcrossvalidations.bson
 create mode 100644 dump/opentox/repeatedcrossvalidations.metadata.json

diff --git a/create_nestec_models.rb b/create_nestec_models.rb
index 145eab9..75bc237 100644
--- a/create_nestec_models.rb
+++ b/create_nestec_models.rb
@@ -1,10 +1,14 @@
 require_relative '../lazar/lib/lazar'
 include OpenTox
-$mongo.database.drop
-$gridfs = $mongo.database.fs # recreate GridFS indexes
+#$mongo.database.drop
+#$gridfs = $mongo.database.fs # recreate GridFS indexes
 
-["Rat_TD50.csv","Mouse_TD50.csv"].each do |file|
+[
+  #"Rat_TD50.csv",
+  #"Mouse_TD50.csv",
+  "LOAEL_mmol_corrected_smiles.csv"
+].each do |file|
   file = File.join(File.dirname(__FILE__),"regression",file)
   Model::Prediction.from_csv_file file
 end
-#`mongodump`
+`mongodump -h 127.0.0.1 -d opentox`
diff --git a/dump/opentox/compounds.bson b/dump/opentox/compounds.bson
index 5113ac0..e4974fe 100644
Binary files a/dump/opentox/compounds.bson and b/dump/opentox/compounds.bson differ
diff --git a/dump/opentox/crossvalidations.bson b/dump/opentox/crossvalidations.bson
index 1f8fed9..8e98537 100644
Binary files a/dump/opentox/crossvalidations.bson and b/dump/opentox/crossvalidations.bson differ
diff --git a/dump/opentox/datasets.bson b/dump/opentox/datasets.bson
index 2b09726..8f788da 100644
Binary files a/dump/opentox/datasets.bson and b/dump/opentox/datasets.bson differ
diff --git a/dump/opentox/features.bson b/dump/opentox/features.bson
index e0db5b3..2e9a514 100644
Binary files a/dump/opentox/features.bson and b/dump/opentox/features.bson differ
diff --git a/dump/opentox/fs.chunks.bson b/dump/opentox/fs.chunks.bson
index 0179808..224d799 100644
Binary files a/dump/opentox/fs.chunks.bson and b/dump/opentox/fs.chunks.bson differ
diff --git a/dump/opentox/fs.files.bson b/dump/opentox/fs.files.bson
index 4933e2a..ac97ece 100644
Binary files a/dump/opentox/fs.files.bson and b/dump/opentox/fs.files.bson differ
diff --git a/dump/opentox/models.bson b/dump/opentox/models.bson
index 12134e9..9f386ec 100644
Binary files a/dump/opentox/models.bson and b/dump/opentox/models.bson differ
diff --git a/dump/opentox/open_tox_model_predictions.bson b/dump/opentox/open_tox_model_predictions.bson
index de3e150..a8e2d27 100644
Binary files a/dump/opentox/open_tox_model_predictions.bson and b/dump/opentox/open_tox_model_predictions.bson differ
diff --git a/dump/opentox/repeatedcrossvalidations.bson b/dump/opentox/repeatedcrossvalidations.bson
new file mode 100644
index 0000000..3999082
Binary files /dev/null and b/dump/opentox/repeatedcrossvalidations.bson differ
diff --git a/dump/opentox/repeatedcrossvalidations.metadata.json b/dump/opentox/repeatedcrossvalidations.metadata.json
new file mode 100644
index 0000000..8d360d1
--- /dev/null
+++ b/dump/opentox/repeatedcrossvalidations.metadata.json
@@ -0,0 +1 @@
+{"options":{},"indexes":[{"v":1,"key":{"_id":1},"name":"_id_","ns":"opentox.repeatedcrossvalidations"}]}
\ No newline at end of file
diff --git a/dump/opentox/system.indexes.bson b/dump/opentox/system.indexes.bson
index 4ce93c8..c6e3b16 100644
Binary files a/dump/opentox/system.indexes.bson and b/dump/opentox/system.indexes.bson differ
diff --git a/dump/opentox/validations.bson b/dump/opentox/validations.bson
index ea2fadf..2c7297c 100644
Binary files a/dump/opentox/validations.bson and b/dump/opentox/validations.bson differ
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