From f8faf510b4574df1a00fa61a9f0a1681fc2f4857 Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Tue, 25 Aug 2015 17:20:55 +0200 Subject: Experiments added --- lib/compound.rb | 1 + 1 file changed, 1 insertion(+) (limited to 'lib/compound.rb') diff --git a/lib/compound.rb b/lib/compound.rb index fa57aff..a819f56 100644 --- a/lib/compound.rb +++ b/lib/compound.rb @@ -178,6 +178,7 @@ module OpenTox end def neighbors threshold=0.7 + # TODO restrict to dataset # from http://blog.matt-swain.com/post/87093745652/chemical-similarity-search-in-mongodb qn = fp4.size #qmin = qn * threshold -- cgit v1.2.3