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-rw-r--r--views/prediction.haml14
1 files changed, 9 insertions, 5 deletions
diff --git a/views/prediction.haml b/views/prediction.haml
index ef0c5db..33e9ec5 100644
--- a/views/prediction.haml
+++ b/views/prediction.haml
@@ -18,6 +18,7 @@
%td{:id=>"compound", :style=>"vertical-align:top;"}
%p= @compound.svg
%p= @compound.smiles
+ -#- mw = @compound.molecular_weight
- @model_types = {}
- @dbhit = {}
- @predictions.each_with_index do |prediction,i|
@@ -30,10 +31,14 @@
- if prediction[:confidence] == "measured"
- @dbhit[i] = true
%p
- / TODO fix scientific notation from database
%b Measured activity:
- = (type == "Regression") ? "#{"%.2e" % prediction[:value]} (#{@models[i].unit})" : prediction[:value]
- %p Compound is part of the training dataset
+ - p prediction[:value]
+ - if prediction[:value].is_a?(Array)
+ = (type == "Regression") ? prediction[:value].collect{|v| weight = Compound.from_smiles(@compound.smiles).mmol_to_mg(v); '%.2e' % v + " (#{@models[i].unit})"+"|#{'%.2e' % weight} (mg/kg_bw/day)"}.join("</br>") : prediction[:value].join(", ")
+ - else
+ = (type == "Regression") ? "#{"%.2e" % prediction[:value]} (#{@models[i].unit}) | #{'%.2e' % @compound.mmol_to_mg(prediction[:value])} (mg/kg_bw/day)" : prediction[:value]
+ %p
+ %b Compound is part of the training dataset
- elsif prediction[:neighbors].size > 0
%p
/ model type (classification|regression)
@@ -41,8 +46,7 @@
= type
%br
%b Prediction:
- / TODO scientific notation
- = (type == "Regression") ? "#{'%.2e' % prediction[:value]} (#{@models[i].unit})" : prediction[:value]
+ = (type == "Regression") ? "#{'%.2e' % prediction[:value]} (#{@models[i].unit}) | #{'%.2e' % @compound.mmol_to_mg(prediction[:value])} (mg/kg_bw/day)" : prediction[:value]
/ TODO update description
/ %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction", data: {toggle:"popover", placement:"left", html:"true", content:"LAZAR calculates searches the training dataset for similar compounds (neighbors) and calculates the prediction from their measured activities. LAZAR calculates predictions using <ul><li>a majority vote (weighted by compound similarity) for<br /><b>classification</b> (<a href='http://www.frontiersin.org/Journal/10.3389/fphar.2013.00038/abstract', target='_blank'>original publication</a>) </li><li>a local QSAR model based on neighbors for<br /><b>regression</b> (<a href='http://www.frontiersin.org/Journal/10.3389/fphar.2013.00038/abstract', target='_blank'</h>original publication</a>) </li></ul>Please keep in mind that predictions are based on the measured activities of neighbors."}}
%br