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path: root/views/prediction.haml
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:javascript
  $(document).ready(function(){
    $('[data-toggle="popover"]').popover();
    $('.modal').on('hidden.bs.modal', function () {
      $(this).removeData('bs.modal');
    });
  });
%div.well
  %a.btn.btn-warning{:href => to('/predict')}
    %i.glyphicon.glyphicon-menu-left
    New Prediction
  / displays all prediction result in first table
  %h3 Prediction Results:
  %div.table-responsive
    %table.table.table-bordered{:id=>"overview"}
      %tbody
        %tr
          %td{:id=>"compound", :style=>"vertical-align:top;"}
            %p= @compound.svg
            %p= @compound.smiles
          - @model_types = {}
          - @dbhit = {}
          - @predictions.each_with_index do |prediction,i|
            - type = @models[i].model.class.to_s.match("Classification") ? "Classification" : "Regression"
            - @model_types[i] = type
            - unit = @models[i].unit
            %td{:style=>"vertical-align:top;white-space:nowrap;"}
              %b{:class => "title"}
                = "#{@models[i].endpoint.gsub('_', ' ')} (#{@models[i].species})"
              
              / check for prediction
              - if prediction[:neighbors].size > 0
                %p
                / show model type (classification|regression)
                %b Type:
                = type
                %p 
                / check for database hit
                - if prediction[:warning] =~ /\b(identical)\b/i
                  - @dbhit[i] = true
                  
                  / show message about dbhit and measurements
                  %p
                    %b Compound is part of the training dataset
                    %p
                    %b Measured activity:
                    %br
                    - if prediction[:measurements].is_a?(Array)
                      = (type == "Regression") ? prediction[:measurements].collect{|value| "#{value.delog10} (#{unit})</br>#{@compound.mmol_to_mg(value.delog10)} #{unit =~ /mmol\/L/ ? "(mg/L)" : "(mg/kg_bw/day)"}"}.join("</br>") : prediction[:measurements].join(", ")
                    - else
                      = (type == "Regression") ? "#{prediction[:measurements].delog10} (#{unit})</br>#{@compound.mmol_to_mg(prediction[:measurements].delog10)} #{(unit =~ /\b(mol\/L)\b/) ? "(mg/L)" : "(mg/kg_bw/day)"}" : prediction[:measurements]
                
                - else
                  - @dbhit[i] = false
                
                / show prediction
                %p
                  %b Prediction:
                  / prediction popover
                  -#%a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"<p>lazar searches the training dataset for similar compounds (neighbors) and calculates the prediction from their experimental activities.<p><b>Classification:</b></br>Majority vote of neighbor activities weighted by similarity.<p><b>Regression:</b></br>Prediction from a local partial least squares regression model with neighbor activities weighted by similarity.<p><a href=\"http://www.frontiersin.org/Journal/10.3389/fphar.2013.00038/abstract\", target=\"_blank\"> Original publication</a>."}}
                  %br
                  = (type == "Regression") ? "#{prediction[:value].delog10} (#{unit})</br>#{@compound.mmol_to_mg(prediction[:value].delog10)} #{(unit =~ /\b(mol\/L)\b/) ? "(mg/L)" : "(mg/kg_bw/day)"}" : prediction[:value]
                  
                  / show prediction interval or probability
                  %p
                  - if type == "Regression"
                    %b 95% Prediction interval:
                    - interval = (prediction[:prediction_interval].nil? ? nil : prediction[:prediction_interval])
                    / prediction interval popover
                    -#%a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction intervall", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"An estimate of prediction uncertainty. The \"real\" value should be with 95% probability within the prediction interval."}}
                    %br
                    = interval.nil? ? "--" : "#{interval[1].delog10} - #{interval[0].delog10} (#{unit})"
                    %br
                    = "#{@compound.mmol_to_mg(interval[1].delog10)} - #{@compound.mmol_to_mg(interval[0].delog10)} #{(unit =~ /\b(mol\/L)\b/) ? "(mg/L)" : "(mg/kg_bw/day)"}" if !prediction[:prediction_interval].nil?
                  - else
                    %b Probability:
                    - unless prediction[:probabilities].nil?
                      %br
                      = "#{prediction[:probabilities].keys[0]}: #{prediction[:probabilities].values[0]}"
                      %br
                      = "#{prediction[:probabilities].keys[1]}: #{prediction[:probabilities].values[1]}"
                    / probability popover
                    -#%a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Confidence", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"Indicates the applicability domain of a model. Predictions with a high confidence can be expected to be more reliable than predictions with low confidence. Confidence values may take any value between 0 and 1. For most models confidence > 0.025 is a sensible (hard) cutoff to distinguish between reliable and unreliable predictions."}}
                
                / show warnings
                %p
                - if !prediction[:warning].nil?
                  %b Warnings:
                  %a.btn.glyphicon.glyphicon-info-sign{:href=>"javascript:void(0)", :title=>"Warnings", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"auto", html:"true", content:"#{prediction[:warning]}"}}
              - else
                - @dbhit[i] = false
                %p
                  = "Not enough similar compounds </br>in training dataset."

  / always show the neighbors table, message is given there  
  = haml :neighbors, :layout => false, :model_type => @model_types, :dbhit => @dbhit