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author | Christoph Helma <helma@in-silico.ch> | 2019-06-21 12:55:21 +0200 |
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committer | Christoph Helma <helma@in-silico.ch> | 2019-06-21 12:55:21 +0200 |
commit | bea6f89f2a54a0612a30ce90c56c4ddecc4f7ed1 (patch) | |
tree | dc617be8c8d4ea2bad3a47398d2c0a99bbb06c56 /lib/model.rb | |
parent | 7aac1c36369b41501edfc261e4f7ad77dec6b2a1 (diff) |
measurement added for single neighbors
Diffstat (limited to 'lib/model.rb')
-rw-r--r-- | lib/model.rb | 2 |
1 files changed, 1 insertions, 1 deletions
diff --git a/lib/model.rb b/lib/model.rb index 05cd113..d7b2df6 100644 --- a/lib/model.rb +++ b/lib/model.rb @@ -272,7 +272,7 @@ module OpenTox elsif neighbor_similarities.size == 1 prediction[:value] = nil prediction[:warnings] << "Cannot create prediction: Only one similar compound for threshold #{threshold} in the training set (Threshold: #{algorithms[:similarity][:min].last})." - prediction[:neighbors] = [{:id => neighbor_ids.first, :similarity => neighbor_similarities.first}] + prediction[:neighbors] = [{:id => neighbor_ids.first, :measurement => neighbor_dependent_variables[0], :similarity => neighbor_similarities.first}] if threshold == algorithms[:similarity][:min].last prediction[:confidence] = "Out of applicability domain: Only one similar compound in the training set." return prediction |