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authorChristoph Helma <helma@in-silico.ch>2016-05-08 12:22:58 +0200
committerChristoph Helma <helma@in-silico.ch>2016-05-08 12:22:58 +0200
commit06fc914653face2c58fd4e6c47161cb03e217582 (patch)
treef001a28b3970f67bf648f6d00e95791a063e7fd5 /lib/compound.rb
parent110b470a69f785f195cce21df7c07efa5c9ce61b (diff)
default validations fixed
Diffstat (limited to 'lib/compound.rb')
-rw-r--r--lib/compound.rb2
1 files changed, 1 insertions, 1 deletions
diff --git a/lib/compound.rb b/lib/compound.rb
index c2ce5d0..3af6f6c 100644
--- a/lib/compound.rb
+++ b/lib/compound.rb
@@ -288,7 +288,7 @@ module OpenTox
training_dataset.compounds.each do |compound|
candidate_fingerprint = compound.fingerprint params[:type]
sim = (query_fingerprint & candidate_fingerprint).size/(query_fingerprint | candidate_fingerprint).size.to_f
- neighbors << {"_id" => compound.id, "toxicities" => {prediction_feature.id.to_s => compound.toxicities[prediction_feature.id.to_s]}, "tanimoto" => sim} if sim >= params[:min_sim]
+ neighbors << {"_id" => compound.id, "toxicities" => {prediction_feature.id.to_s => {training_dataset_id.to_s => compound.toxicities[prediction_feature.id.to_s][training_dataset_id.to_s]}}, "tanimoto" => sim} if sim >= params[:min_sim]
end
neighbors.sort!{|a,b| b["tanimoto"] <=> a["tanimoto"]}
end