diff options
Diffstat (limited to 'lib/compound.rb')
| -rw-r--r-- | lib/compound.rb | 1 |
1 files changed, 1 insertions, 0 deletions
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 |