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| author | Christoph Helma <helma@in-silico.ch> | 2015-08-25 17:20:55 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2015-08-25 17:20:55 +0200 |
| commit | f8faf510b4574df1a00fa61a9f0a1681fc2f4857 (patch) | |
| tree | acdbe6666ca5f528be368c6f9fdf4d7fb51d031e /lib/compound.rb | |
| parent | 8c6c59980bc82dc2177147f2fe34adf8bfbc1539 (diff) | |
Experiments added
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 |