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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
-#- mw = @compound.molecular_weight
- @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})"
%p
- if prediction[:warning] =~ /\b(identical)\b/i
- @dbhit[i] = true
%p
/TODO combine with regular view, if prediction value is present
%b Measured activity:
- p prediction[:value]
- if prediction[:value].is_a?(Array)
= (type == "Regression") ? prediction[:value].collect{|value| "#{value} (#{unit}) , #{@compound.mmol_to_mg(value.delog10)} #{unit =~ /mmol\/L/ ? "(mg/L)" : "(mg/kg_bw/day)"}"}.join("</br>") : prediction[:value].join(", ")
- else
= (type == "Regression") ? "#{prediction[:value]} (#{unit}), #{@compound.mmol_to_mg(prediction[:value].delog10)} #{(unit =~ /\b(mol\/L)\b/) ? "(mg/L)" : "(mg/kg_bw/day)"}" : prediction[:value]
%p
%b Compound is part of the training dataset
/ warning popover
%a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Warnings", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"#{prediction[:warning]}"}}
- elsif prediction[:neighbors].size > 0
%p
/ model type (classification|regression)
%b Type:
= type
%br
%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]
/ tabindex=0 seems the best fix for FF|S browsers on OSX better than trigger="click focus" which ends up in double click for FF.
%br
- if type == "Regression"
%b 95% Prediction interval:
- interval = (prediction[:prediction_interval].nil? ? ["- -","- -"] : prediction[:prediction_interval])
/ prediction intervall 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[0].delog10} - #{interval[1].delog10} (#{unit})"
%br
= "#{@compound.mmol_to_mg(interval[0].delog10)} - #{@compound.mmol_to_mg(interval[1].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."}}
%p
/TODO add tooltip for significant ftagments and descriptors
/ - if @model_type[i] =~ /classification/i && (p.data_entries[0][1] != nil && p.data_entries[0][1] != 0.0)
/ Significant fragments:
/ %a.btn.btn-default.btn-sm{:id=>"linkSigFragments", :href => "#detailsTop", :tabindex=>"0", data: { toggle: "modal", remote: to("/prediction/#{CGI.escape(@model_uri)}/#{@model_type[i]}/#{CGI.escape(@compound.uri)}/fingerprints")}} Significant fragments
/ - if @model_type[i] =~ /regression/i && (p.data_entries[0][1] != nil && p.data_entries[0][1] != 0.0)
/ Descriptors
/ %a.btn.btn-default.btn-sm{:id=>"linkDescriptors", :href => "#detailsTop", :tabindex=>"0", data: { toggle: "modal", remote: to("/prediction/#{CGI.escape(@model_uri)}/#{@model_type[i]}/#{CGI.escape(@compound.uri)}/fingerprints")}} Descriptors
/ %p
%p
- 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
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