%div.well %a.btn.btn-warning{:href => to('/predict')} %span.glyphicon.glyphicon-menu-left{:aria=>{:hidden=>"true"}} New Prediction %a.btn.btn-success{:href=>"#{to("/predict/#{@filename}")}", :title=>"download"} %span.glyphicon.glyphicon-download-alt download CSV / show processed file name %topline %div.row %div.col-md-4 %h3 Batch Prediction Results: %div.col-md-8 %h3= @filename / displays all prediction result in one table %div.table-responsive %table.table.table-bordered{:id=>"batch", :style=>"background-color:white;"} %tbody - if @warnings - @warnings.each do |warning| %tr %td %b Warning %td = warning.sub(/\b(tmp\/)\b/,"") / key = compound, values = [model,prediction] - @batch.each do |key, values| - compound = key %tr %td{:style=>"vertical-align:top;"} %p= compound.svg %p= compound.smiles / array[0] = model, array[1] = prediction - values.each_with_index do |array,i| %td{:style=>"vertical-align:top;white-space:nowrap;"} - model = array[0] / model type (classification|regression) - model.model.class.to_s.match("Classification") ? type = "Classification" : type = "Regression" - unit = model.unit - prediction = array[1] %b{:class => "title"} = "#{model.endpoint.gsub('_', ' ')} (#{model.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 / 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})
#{compound.mmol_to_mg(value.delog10)} #{unit =~ /mmol\/L/ ? "(mg/L)" : "(mg/kg_bw/day)"}"}.join("
") : prediction[:measurements].join(", ") - else = (type == "Regression") ? "#{prediction[:measurements].delog10} (#{unit})
#{compound.mmol_to_mg(prediction[:measurements].delog10)} #{(unit =~ /\b(mol\/L)\b/) ? "(mg/L)" : "(mg/kg_bw/day)"}" : prediction[:measurements] / show prediction %p %b Prediction: %br = (type == "Regression") ? "#{prediction[:value].delog10} (#{unit})
#{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]) %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 / 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:"left", html:"true", content:"#{prediction[:warning]}"}} / no prediction - else %p = "Not enough similar compounds
in training dataset."