From dc4ab1f4e64d738d6c0b70f0b690a2359685080f Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Wed, 12 Oct 2016 21:32:27 +0200 Subject: physchem regression, correlation_filter for fingerprints --- lib/regression.rb | 15 ++++++--------- 1 file changed, 6 insertions(+), 9 deletions(-) (limited to 'lib/regression.rb') diff --git a/lib/regression.rb b/lib/regression.rb index 0e5e06b..bed6df8 100644 --- a/lib/regression.rb +++ b/lib/regression.rb @@ -3,18 +3,15 @@ module OpenTox class Regression - def self.weighted_average descriptors:nil, neighbors:, parameters:nil, method:nil, relevant_features:nil + def self.weighted_average dependent_variables:, independent_variables:nil, weights:, query_variables: + #def self.weighted_average descriptors:nil, neighbors:, parameters:nil, method:nil, relevant_features:nil # TODO: prediction_interval weighted_sum = 0.0 sim_sum = 0.0 - neighbors.each do |neighbor| - sim = neighbor["similarity"] - activities = neighbor["measurements"] - activities.each do |act| - weighted_sum += sim*act - sim_sum += sim - end if activities - end + dependent_variables.each_with_index do |v,i| + weighted_sum += weights[i]*dependent_variables[i] + sim_sum += weights[i] + end if dependent_variables sim_sum == 0 ? prediction = nil : prediction = weighted_sum/sim_sum {:value => prediction} end -- cgit v1.2.3