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:javascript
// increase body width if more than 2 models selected
window.onload = function(){
var plusSize = ("#{@predictions.size}" > 2 ) ? ("#{@predictions.size}" * 100) : 0;
var width = $(window).width() + plusSize;
$("body").width(width);
};
.predictions
.back
%h1
%img{:src=>"/images/arrow_left_float.png", :alt=>"<"}
%a{:href => to('/predict')} New Prediction
/ displays all prediction result in first table
.overview
%table{:width=>"100%", :cellspacing=>"1", :id=>"overview"}
%thead
%tr
%caption
%h2 Prediction Results:
%tbody
%tr
%td{:id=>"compound", :style=>"vertical-align:top;"}
%a{:href => to("/prediction/#{CGI.escape(@compound.uri)}/details"), :id=>"linkCompound", :target=>"details_overview"}
Names and synonyms >
%img{:src=>"#{@compound.uri}/image", :alt=>"Compound image not available", :title=>"#{@compound.smiles}", :width=>"150", :height=>"150"}
%p
:javascript
$(function() {
$("a#linkCompound").on('click', function(e) {
$('#iframe_overview').bPopup();
});
});
- count=0
- @predictions.each do |pa|
/ unpack to single array/prediction
/ if p.data_entries array[0].size == 3 -> database hit
/ change 'result' if database hit
/ change 'confidence' if database hit
- pa.each do |p|
/ prevent conversion of nil
/- $logger.debug "data entries in prediction array:\t#{p.data_entries}\n"
- database_hit = 0
- if p.data_entries[0].size == 3
- database_hit = 1
- c = p.data_entries[0][0] != nil ? p.data_entries[0][0] : ''
- case c
- when /(false|true|inactive|active)/i
- c = c
- else
/- c = Array.new
- c = (p.data_entries[0][0].class == Float) ? p.data_entries[0][0].round(3) : (p.data_entries[0][0] != nil ? p.data_entries[0][0] : "no prediction")
%td{:style=>"vertical-align:top;"}
%b{:class => "title"}
= @prediction_models[count].title.gsub("_", " ")
- @model_uri = @prediction_models[count].uri
%p
/ model type (classification|regression)
%b Type:
= @model_type[count]
%p
- unless database_hit > 0
%b Result:
%b
- if c.class == String
- result = (c != '' ? c : "No prediction result.")
= result
- else
- result = (c != '' ? c.round(3) : "No prediction result.")
= result
- confidence = (p.data_entries[0][1] != nil && p.data_entries[0][1] != 0.0) ? p.data_entries[0][1].round(2) : "--"
/ title must be empty for tooltip
%a{:href=>"#result", :title=>"", :id=>"result"}
%img{:src=>"/images/info_white.png"}
.tooltip{:style=>"font-weight: normal; font-size: 1em; width: 50%; text-align: left;"}
%dt
Result
%dd
%code{:style=>"font-size:x-large;"} lazar
calculates searches the training dataset for similar compounds (neighbors)
and calculates the prediction from their measured activities.
%code{:style=>"font-size:x-large;"} lazar
calculates predictions using
%ul
%li a majority vote (weighted by compound similarity) for
%em classification
(
%a{:href=>"http://www.frontiersin.org/Journal/10.3389/fphar.2013.00038/abstract", :target=>"_blank"} original publication
)
%li a local QSAR model based on neighbors for
%em regression
(
%a{:href=>"http://www.frontiersin.org/Journal/10.3389/fphar.2013.00038/abstract", :target=>"_blank"} original publication
)
Please keep in mind that predictions are based on the measured activities of neighbors.
- @cv = OpenTox::Validation.find @prediction_models[count].metadata[RDF::OT.crossValidation][0]+"/statistics" unless @prediction_models[count].title.include?("Mutagenicity")
- unless @model_type[count] == "regression"
%br
%b
= "Probability: "
- unless result == "No prediction result." or confidence == "--"
- prob = @cv.probabilities( confidence, result )[:probs][result]*100
= "#{prob.round(1)} %"
%p
.confidence
%b Confidence:
= confidence
/ title must be empty for tooltip
%a{:href=>"#confidence", :title=>"", :id=>"confidence"}
%img{:src=>"/images/info_white.png"}
.tooltip{:style=>"font-weight: normal; font-size: 1em; width: 50%; text-align: left;"}
%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 distinguish between
reliable and unreliable predictions.
%p
/TODO add tooltip for significant ftagments and descriptors
- if @model_type[count] =~ /classification/i && (p.data_entries[0][1] != nil && p.data_entries[0][1] != 0.0)
/ Significant fragments:
%a{:href => to("/prediction/#{CGI.escape(@model_uri)}/#{@model_type[count]}/#{CGI.escape(@compound.uri)}/fingerprints"), :id=>"linkPredictionSf", :title=>"", :target=>"details_overview"}Significant fragments >
:javascript
$(function() {
$("a#linkPredictionSf").on('click', function(e) {
$('#iframe_overview').bPopup();
});
});
- if @model_type[count] =~ /regression/i && (p.data_entries[0][1] != nil && p.data_entries[0][1] != 0.0)
/ Descriptors
%a{:href => to("/prediction/#{CGI.escape(@model_uri)}/#{@model_type[count]}/#{CGI.escape(@compound.uri)}/fingerprints"), :id=>"linkPredictionSf", :target=>"details_overview"} Descriptors >
:javascript
$(function() {
$("a#linkPredictionSf").on('click', function(e) {
$('#iframe_overview').bPopup();
});
});
%p
- if c != ''
%a{:href=> "#tabs", :id=>"link#{count}"}
%b Neighbors >
:javascript
$("a#link#{count}").click(function () {
$(".results").show();
document.getElementById('tabs').focus();
$("#tabs").tabs({ active: "#{count}" });
});
%p
- count+=1
- else # database hit
%b Database hit:
%br Compound found in training dataset
%p
%b Measured activity:
= p.data_entries[0][2]
%p
- count+=1
/ always show the neighbors table, message is given there
= haml :neighbors, :layout => false, :model_type => @model_type
%iframe{:id=>"iframe_overview", :name=>"details_overview", :height=>"95%", :width=>"95%", :style=>"display:none;border:0px"}
|
