From f46ba3b7262f5b551c81fc9396c5b7f0cac7f030 Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Fri, 27 May 2016 19:16:16 +0200 Subject: first correlation of nanoparticle predictions --- lib/regression.rb | 2 -- 1 file changed, 2 deletions(-) (limited to 'lib/regression.rb') 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 -- cgit v1.2.3