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authorgebele <gebele@in-silico.ch>2017-03-31 15:07:28 +0000
committergebele <gebele@in-silico.ch>2017-03-31 15:07:28 +0000
commitdb38c345fdc119edd8a892a5b0ba2c2a4b1cbe1f (patch)
treed03f73e581dceecf6b044e6055876dbf903486ed /lib
parenteef5d89a92dd7dde9acf9fc063a54e1fe729a89b (diff)
set default min sim to 0.1 for classification and 0.5 for regression
Diffstat (limited to 'lib')
-rw-r--r--lib/model.rb12
1 files changed, 8 insertions, 4 deletions
diff --git a/lib/model.rb b/lib/model.rb
index 7cc6765..80affd5 100644
--- a/lib/model.rb
+++ b/lib/model.rb
@@ -68,10 +68,6 @@ module OpenTox
:method => "fingerprint",
:type => "MP2D",
},
- :similarity => {
- :method => "Algorithm::Similarity.tanimoto",
- :min => 0.5,
- },
:feature_selection => nil
}
@@ -79,10 +75,18 @@ module OpenTox
model.algorithms[:prediction] = {
:method => "Algorithm::Classification.weighted_majority_vote",
}
+ model.algorithms[:similarity] = {
+ :method => "Algorithm::Similarity.tanimoto",
+ :min => 0.1,
+ }
elsif model.class == LazarRegression
model.algorithms[:prediction] = {
:method => "Algorithm::Caret.rf",
}
+ model.algorithms[:similarity] = {
+ :method => "Algorithm::Similarity.tanimoto",
+ :min => 0.5,
+ }
end
elsif substance_classes.first == "OpenTox::Nanoparticle"