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| author | Christoph Helma <helma@in-silico.ch> | 2016-05-27 19:16:16 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2016-05-27 19:16:16 +0200 |
| commit | f46ba3b7262f5b551c81fc9396c5b7f0cac7f030 (patch) | |
| tree | 2fb5efc12c70d62e2befb5ffdd6415656fd9f309 /lib/regression.rb | |
| parent | cc08e6beda7f7d70ebf6c6929a22d1a0cd7c1a20 (diff) | |
first correlation of nanoparticle predictions
Diffstat (limited to 'lib/regression.rb')
| -rw-r--r-- | lib/regression.rb | 2 |
1 files changed, 0 insertions, 2 deletions
diff --git a/lib/regression.rb b/lib/regression.rb index 9d305a6..6487557 100644 --- a/lib/regression.rb +++ b/lib/regression.rb @@ -71,7 +71,6 @@ module OpenTox #def self.local_physchem_regression(substance:, neighbors:, feature_id:, dataset_id:, method: 'pls')#, method_params="ncomp = 4" def self.local_physchem_regression substance, neighbors, method='pls' #, method_params="ncomp = 4" - #dataset = Dataset.find dataset_id activities = [] weights = [] pc_ids = neighbors.collect{|n| Substance.find(n["_id"]).physchem_descriptors.keys}.flatten.uniq @@ -83,7 +82,6 @@ module OpenTox activities = neighbor["toxicities"] activities.each do |act| data_frame[0][i] = act - # TODO: update with cosine similarity for physchem weights << n["similarity"] neighbor.physchem_descriptors.each do |pid,values| values = [values] unless values.is_a? Array |