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author | Christoph Helma <helma@in-silico.ch> | 2016-11-10 15:27:26 +0100 |
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committer | Christoph Helma <helma@in-silico.ch> | 2016-11-10 15:27:26 +0100 |
commit | 9a06f2ff5ae6bdbe7dc90555599e186f1585e0d2 (patch) | |
tree | c9cbb63f398c2937f3cba78a9976c7356a3f79a4 /lib/similarity.rb | |
parent | 85ef2c4982f72c811d5e9fa4ce22e238c512fe6e (diff) |
Model::NanoPrediction parameters
Diffstat (limited to 'lib/similarity.rb')
-rw-r--r-- | lib/similarity.rb | 4 |
1 files changed, 4 insertions, 0 deletions
diff --git a/lib/similarity.rb b/lib/similarity.rb index 772e812..0901936 100644 --- a/lib/similarity.rb +++ b/lib/similarity.rb @@ -19,6 +19,10 @@ module OpenTox ( fingerprints[0] & fingerprints[1]).size/(fingerprints[0]|fingerprints[1]).size.to_f end + #def self.weighted_tanimoto fingerprints + #( fingerprints[0] & fingerprints[1]).size/(fingerprints[0]|fingerprints[1]).size.to_f + #end + def self.euclid scaled_properties sq = scaled_properties[0].zip(scaled_properties[1]).map{|a,b| (a - b) ** 2} Math.sqrt(sq.inject(0) {|s,c| s + c}) |