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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
Make New Prediction
/ displays all prediction result in first table
%div.table-responsive
%table.table.table-bordered{:id=>"overview", :style=>"background-color:white;"}
%thead
%tr
%h3 Prediction Results:
%tbody
%tr
%td{:id=>"compound", :style=>"vertical-align:top;"}
%p= @compound.svg
%p= @compound.smiles
- @predictions.each_with_index do |prediction,i|
- type = @models[i].model.class.to_s.match("Classification") ? "Classification" : "Regression"
%td{:style=>"vertical-align:top;"}
%b{:class => "title"}
= "#{@models[i].endpoint.gsub('_', ' ')} (#{@models[i].species})"
%p
- if prediction[:confidence] == "measured"
%p
/ TODO fix scientific notation from database
%b Measured activity:
= (type == "Regression") ? "#{prediction[:value].round(2)} (#{@models[i].unit})" : prediction[:value]
%p Compound is part of the training dataset
- elsif prediction[:neighbors].size > 0
%p
/ model type (classification|regression)
%b Type:
= type
%br
%b Prediction:
/ TODO scientific notation
= (type == "Regression") ? "#{'%.2e' % prediction[:value]} #{@models[i].unit}" : prediction[:value]
/ TODO update description
/ %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction", data: {toggle:"popover", placement:"left", html:"true", content:"LAZAR calculates searches the training dataset for similar compounds (neighbors) and calculates the prediction from their measured activities. LAZAR calculates predictions using <ul><li>a majority vote (weighted by compound similarity) for<br /><b>classification</b> (<a href='http://www.frontiersin.org/Journal/10.3389/fphar.2013.00038/abstract', target='_blank'>original publication</a>) </li><li>a local QSAR model based on neighbors for<br /><b>regression</b> (<a href='http://www.frontiersin.org/Journal/10.3389/fphar.2013.00038/abstract', target='_blank'</h>original publication</a>) </li></ul>Please keep in mind that predictions are based on the measured activities of neighbors."}}
%br
/ TODO probability
%b Confidence:
= prediction[:confidence].round(2)
/ %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Confidence", data: {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", 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", data: { toggle: "modal", remote: to("/prediction/#{CGI.escape(@model_uri)}/#{@model_type[i]}/#{CGI.escape(@compound.uri)}/fingerprints")}} Descriptors
/ %p
%p
- else
%p
Not enough similar compounds in training dataset.
/ always show the neighbors table, message is given there
= haml :neighbors, :layout => false, :model_type => @model_type
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