From 9a06f2ff5ae6bdbe7dc90555599e186f1585e0d2 Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Thu, 10 Nov 2016 15:27:26 +0100 Subject: Model::NanoPrediction parameters --- lib/similarity.rb | 4 ++++ 1 file changed, 4 insertions(+) (limited to 'lib/similarity.rb') 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}) -- cgit v1.2.3