:javascript $(document).ready(function(){ $('[data-toggle="popover"]').popover(); $('.modal').on('hidden.bs.modal', function () { $(this).removeData('bs.modal'); }); /*TableExport.prototype.bootstrap = ["btn", "btn-default", "btn-toolbar"]; var BootstrapTable = document.getElementById('overview'); new TableExport(BootstrapTable, { ignoreCSS: ".ignore", bootstrap: true, });*/ }); %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"} %b.title Compound %p= embedded_svg @compound.svg, class: '.ignore', title: "#{@compound.smiles}" %p= @compound.smiles - @model_types = {} - @dbhit = {} - toxtree = @predictions.pop if @toxtree == true - unless @predictions.blank? - @predictions.each_with_index do |prediction,i| - if prediction.dimension > 0 - sa_prediction = prediction[1] - prediction = prediction[0] - 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.title = (sa_prediction ? "Consensus mutagenicity" : "#{@models[i].endpoint.gsub('_', ' ')} (#{@models[i].species})") / check kazius - if sa_prediction - hash = sa_prediction[:prediction] - confidence = sa_prediction[:confidence] %p %b Structural alerts: %p %b Prediction: %br =(hash[:prediction] == true ? "mutagenic" : "non-mutagenic") %p %b Confidence: %br =confidence.to_f.signif(3) %p %b Structural alerts for mutagenicity: %br =hash[:matches].flatten.first %p / check for prediction - if prediction[:neighbors] and !prediction[:value].nil? %b.title= ("Lazar #{@models[i].endpoint.gsub('_', ' ').downcase} (#{@models[i].species}):" if sa_prediction) %p / show model type (classification|regression) %b Type: = type %p / check for database hit - if prediction[:info] =~ /\b(identical)\b/i - @dbhit[i] = true / show message about dbhit and measurements %p :plain This compound was part of the training dataset. All information
from this compound was removed from the training data before the
prediction, to obtain unbiased results. %p %b Measured activity: %br - if prediction[:measurements].is_a?(Array) = (type == "Regression") ? prediction[:measurements].collect{|value| "#{value.delog10.signif(3)} (#{unit})
#{@compound.mmol_to_mg(value.delog10).signif(3)} #{unit =~ /mmol\/L/ ? "(mg/L)" : "(mg/kg_bw/day)"}"}.join("
") : prediction[:measurements].join(", ") - else = (type == "Regression") ? "#{prediction[:measurements].delog10.signif(3)} (#{unit})
#{@compound.mmol_to_mg(prediction[:measurements].delog10).signif(3)} #{(unit =~ /\b(mmol\/L)\b/) ? "(mg/L)" : "(mg/kg_bw/day)"}" : prediction[:measurements] - else - @dbhit[i] = false / show prediction %p %b Prediction: %br = (type == "Regression") ? "#{prediction[:value].delog10.signif(3)} (#{unit})
#{@compound.mmol_to_mg(prediction[:value].delog10).signif(3)} #{(unit =~ /\b(mmol\/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.signif(3)} - #{interval[0].delog10.signif(3)} (#{unit})" %br = "#{@compound.mmol_to_mg(interval[1].delog10).signif(3)} - #{@compound.mmol_to_mg(interval[0].delog10).signif(3)} #{(unit =~ /\b(mmol\/L)\b/) ? "(mg/L)" : "(mg/kg_bw/day)"}" if !interval.nil? - else %b Probability: - unless prediction[:probabilities].nil? %br = "#{prediction[:probabilities].keys[0]}: #{prediction[:probabilities].values[0].signif(3)}" - if prediction[:probabilities].size == 2 %br = "#{prediction[:probabilities].keys[1]}: #{prediction[:probabilities].values[1].signif(3)}" / show warnings and info -#%p - if !prediction[:info].blank? %b Info: %br %p=prediction[:info].sub(/\'.*\'/,"").sub(/,/, ",
") - if !prediction[:warnings].blank? %b Warnings: - prediction[:warnings].uniq.each do |warning| %br %p=warning.sub(/,/, ",
") - else %p - if !prediction[:info].blank? %b Info: %br %p=prediction[:info].sub(/\'.*\'/,"").sub(/,/, ",
") - if !prediction[:warnings].blank? %b Warnings: - prediction[:warnings].uniq.each do |warning| %p=warning.sub(/,/, ",
") / show Cramer rules if checked - if @toxtree == true %td{:style=>"vertical-align:top;white-space:nowrap;"} %b.title Oral toxicity (Cramer rules) %p %b Cramer rules: %br =toxtree.first["Cramer rules"] %p %b Cramer rules, with extensions: %br =toxtree.last["Cramer rules, with extensions"] / always show the neighbors table, message is given there. Except only Cramer is selected. - unless @predictions.blank? = haml :neighbors, :layout => false, :model_type => @model_types, :dbhit => @dbhit