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authorChristoph Helma <helma@in-silico.ch>2017-09-12 16:24:49 +0200
committerChristoph Helma <helma@in-silico.ch>2017-09-12 16:24:49 +0200
commit0fb3651e65ab0a66710d5ad8aee978b08c4ac0c9 (patch)
tree9cb490b7f04bf3b7f6932d101badc6225c9f195d
parent23a612d1f266ee7ee2206d4430d39cd01050f3f5 (diff)
consensus prediction removedHEADmaster
-rw-r--r--kazius-alerts.gemspec2
-rw-r--r--lib/kazius-alerts.rb21
2 files changed, 1 insertions, 22 deletions
diff --git a/kazius-alerts.gemspec b/kazius-alerts.gemspec
index 1011dd5..0a2d0d1 100644
--- a/kazius-alerts.gemspec
+++ b/kazius-alerts.gemspec
@@ -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"
diff --git a/lib/kazius-alerts.rb b/lib/kazius-alerts.rb
index 51811b7..e436739 100644
--- a/lib/kazius-alerts.rb
+++ b/lib/kazius-alerts.rb
@@ -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
-