consensus prediction removed master
authorChristoph Helma <helma@in-silico.ch>
Tue, 12 Sep 2017 14:24:49 +0000 (16:24 +0200)
committerChristoph Helma <helma@in-silico.ch>
Tue, 12 Sep 2017 14:24:49 +0000 (16:24 +0200)
kazius-alerts.gemspec
lib/kazius-alerts.rb

index 1011dd5fe45b3fba99a4bbb69fecf4d79640340e..0a2d0d1ecb623c1e7ab545a6f49104b0a913e86d 100644 (file)
@@ -1,6 +1,6 @@
 Gem::Specification.new do |s|
   s.name        = "kazius-alerts"
-  s.version     = "0.0.3"
+  s.version     = "0.0.4"
   s.authors     = ["Christoph Helma"]
   s.email       = ["helma@in-silico.ch"]
   s.homepage    = "http://github.com/opentox/kazius-alerts"
index 51811b73986e397489062fde6003542bd4877437..e436739ce707b369bcd19887b7cd41f4a13aa343 100644 (file)
@@ -83,24 +83,3 @@ class KaziusAlerts
   end
 
 end
-
-class ConsensusMutagenicity
-
-  def self.predict smiles
-    sa_prediction = KaziusAlerts.predict smiles
-    lazar_prediction = Lazar.predict smiles
-    confidence = 0
-    if sa_prediction[:prediction] == false && lazar_mutagenicity.prediction == 0
-      confidence = 0.85
-    elsif sa_prediction[:prediction] == true && lazar_mutagenicity.prediction == 1
-      confidence = 0.85 * ( 1 - sa_prediction[:error_product] )
-    elsif sa_prediction[:prediction] == false && lazar_mutagenicity.prediction == 1
-      confidence = 0.11
-    elsif sa_prediction[:prediction] == true && lazar_mutagenicity.prediction == 0
-      confidence = ( 1 - sa_prediction[:error_product] ) - 0.57
-    end
-    {:prediction => prediction, :confidence => confidence}
-  end
-
-end
-