.predictions %table %tr %th= @title.gsub(/_lazar_.*$/,' ').capitalize %th Prediction %th %a{:href => "#", :id => "linkConfidence#{p.object_id}"} Confidence :javascript $("a#linkConfidence#{p.object_id}").click(function () { $("dl#confidence").toggle(); }); %th Relevant features %tr %th %img{:src => @compound.image_uri, :alt => @compound.smiles} %td - if @measured_activities %br - @measured_activities.each do |a| - if activity(a) == 'active' .active = activity(a) - elsif activity(a) == 'inactive' .inactive = activity(a) - else = a %br ( %a{:href => "#", :id => "linkTrainingData#{p.object_id}"} Training data :javascript $("a#linkTrainingData#{p.object_id}").click(function () { $("dl#training_data").toggle(); }); ) - else - if activity(@activity) == 'active' .active = activity(@activity) - elsif activity(@activity) == 'inactive' .inactive = activity(@activity) - elsif @activity.is_a?(Float) .other = sprintf('%.03g', @activity) - else .other %em= @activity.to_s %td = sprintf('%.03g', @confidence.to_f.abs) if @confidence %td %table %tr %th{:colspan => 2} activating %th p value - if @features[:activating] - @features[:activating].sort{|a,b| b.last <=> a.last }.each do |f| %tr %th= f[0] %td= f[1] %tr %th{:colspan => 2} deactivating %th p value - if @features[:deactivating] - @features[:deactivating].sort{|a,b| b.last <=> a.last }.each do |f| %tr %th= f[0] %td= f[1] %tr %th Neighbors %th Activity %th Similarity (activity specific) %th Relevant features - @neighbors.sort{|a,b| b.last[:similarity] <=> a.last[:similarity]}.each do |uri,data| - c = OpenTox::Compound.new(:uri => uri) %tr %th %br= c.smiles %br %a{:href => c.image_uri, :target => "_blank"} Image %br %img{:src => c.image_uri, :alt => c.smiles} %td - data[:activities].each do |act| - if activity(act) == 'active' .active = activity(act) - elsif activity(act) == 'inactive' .inactive = activity(act) - elsif act.is_a?(Float) .other = sprintf('%.03g', act) - else .other %em= act.to_s %td = sprintf('%.03g', data[:similarity]) %td %table %tr %th{:colspan => 2} activating %th p value -#%td= data[:features].inspect -# data[:features][:activating].each do |f| - data[:features][:activating].sort{|a,b| b.last[:p_value] <=> a.last[:p_value] }.each do |f| -# f.inspect %tr %th= f[:smarts] %td= f[:p_value] %td=# f[:p_value] %tr %th{:colspan => 2} deactivating %th p value -# data[:features][:deactivating].sort{|a,b| b.last[:p_value] <=> a.last[:p_value] }.each do |f| - data[:features][:deactivating].each do |f| %tr %th= f[:smarts] %td= f[:p_value] %dl#confidence{ :style => "display: none;" } %dt Confidence: %dd 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 distiguish between reliable and unreliable predictions. %dl#training_data{ :style => "display: none;" } %dt Training data: %dd Experimental result(s) from the training dataset are displayed here.