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:javascript
function checksmiles () {
if (document.form.identifier.value == "") {
alert("Please draw or insert a chemical structure.");
$("img.circle").hide();
document.form.identifier.focus();
return false;
};
return true;
};
function checkboxes () {
var checked = false;
$('input[type="checkbox"]').each(function() {
if ($(this).is(":checked")) {
checked = true;
};
});
if (checked == false){
alert("Please select an endpoint.");
$("img.circle").hide();
return false;
};
return true;
};
function jsmeOnLoad() {
jsmeApplet = new JSApplet.JSME("appletContainer", "380px", "340px", {
//optional parameters
"options" : "polarnitro"
});
document.JME = jsmeApplet;
};
function getsmiles() {
if (document.JME.smiles() != '') {
document.form.identifier.value = document.JME.smiles() ;
};
};
function showcircle(){
$("img.circle").show();
};
// whole site content needs to be in one form. Input and checkboxes are proofed by js functions.
%form{:name => "form", :action => to('/predict'), :method => "post", :enctype => "multipart/form-data", :onsubmit => "return !!(checksmiles() & checkboxes())" }
%fieldset#top
%a{:href => "#", :id => "linkInsert"}
%h1 1. Draw a chemical structure
:javascript
$("a#linkInsert").click(function () {
$("#insert").toggle();
document.location = document.location + "#" + "insert";
});
#insert
%p
%label
#appletContainer
%br
%label{:for => 'identifier'}
or enter the
%a{:href => "http://en.wikipedia.org/wiki/Simplified_molecular_input_line_entry_specification", :rel => "external"} SMILES
string:
%input{:type => 'text', :name => 'identifier', :id => 'identifier', :size => '60'}
.arrow
%img{:src=>"/images/arrow_down_float.png", :alt=>"v", :class=> "arrow"}
%fieldset#middle
%a{:href => "#models", :id => "linkModels"}
%h1 2. Select one or more endpoints
:javascript
$("a#linkModels").click(function () {
$("#models").toggle();
document.location = document.location + "#" + "models";
});
#models
- @detail_count = 0
- @models.each do |model|
- model_endpoint = model.type.select{|endpoint| endpoint =~ /Endpoint/}.to_s
- model_title = model.title.split("_").last(2)[0]
- model_t = model.title.gsub("_", " ")
- case model_endpoint
- when /fish/i
%br
%b Acute toxicity to fish (lethality):
- @detail_count +=1
%div{:id => model_title}
%input{:type => "checkbox", :name => "selection[#{model_title}]", :id => "selection[#{model_title}]", :value => true, :disabled => false}
%label{:for => "selection[#{model_title}]"}
= model_t
%a{:href=>"#details", :id => "linkDetails#{model_title}", :title=>"#{model_title} details", :style=>"font-size:small;"}
[Details]
:javascript
$("a#linkDetails#{model_title}").click(function () {
$("#details_#{@detail_count}").toggle();
//document.location = document.location + "#" + "details";
});
#details{:id => "#{@detail_count}", :style=> "display:none;"}
%h3 Model Details:
//%p= "Training Dataset:\t#{model[RDF::OT.trainingDataset]}"
%p{:style=>"display:inline;"} Algorithm:
%code{:style=>"font-size:x-large;"} lazar
%p Type: regression
%p Training compounds: 580
%p{:style=>"display:inline;"} Descriptors:
%a{:href=>"https://services.in-silico.ch/algorithm/descriptor/physchem/list", :title=>"link opens in new window.", :target=>"_blank"} Physico-chemical (PC) properties
//%p= "Training Dataset:\t#{model[RDF::OT.trainingDataset]}"
//%p= "Feature Dataset:\t#{model[RDF::OT.featureDataset]}"
/%h3 Validation:
-#%a{:href => "#"}
Detailed report link
/%p Number of predictions: integer
/%p Correct predictions: %
- when /Carcinogenicity/i
%br
%b Carcinogenicity:
- @detail_count +=1
%div{:id => model_title}
%input{:type => "checkbox", :name => "selection[#{model_title}]", :id => "selection[#{model_title}]", :value => true, :disabled => false}
%label{:for => "selection[#{model_title}]"}
= model.title.gsub("_", " ")
%a{:href=>"#details", :id => "linkDetails#{model_title}", :title=>"#{model_title} details", :style=>"font-size:small;"}
[Details]
:javascript
$("a#linkDetails#{model_title}").click(function () {
$("#details_#{@detail_count}").toggle();
//document.location = document.location + "#" + "details";
});
#details{:id=>"#{@detail_count}", :style=> "display:none;"}
%h3 Model Details:
//%p= "Training Dataset:\t#{model[RDF::OT.trainingDataset]}"
%p{:style=>"display:inline;"} Algorithm:
%code{:style=>"font-size:x-large;"} lazar
%p Type: classification
%p Training compounds: 86
%p{:style=>"display:inline;"} Descriptors:
%a{:href=>"http://www.maunz.de/libfminer2-bbrc-doc/", :title=>"link opens in new window.", :target=>"_blank"} Fminer backbone refinement classes
//%p= "Training Dataset:\t#{model[RDF::OT.trainingDataset]}"
//%p= "Feature Dataset:\t#{model[RDF::OT.featureDataset]}"
%h3 Validation:
%a{:href => "http://lazar-services.in-silico.ch/validation/report/crossvalidation/22", :title=>"Link opens in new window.", :target=>"_blank"}
Detailed report link
/%p Number of predictions: integer
/%p Correct predictions: %
%br
- when /Mutagenicity/i
%br
%b Mutagenicity:
- @detail_count +=1
%div{:id => model_title}
%input{:type => "checkbox", :name => "selection[#{model_title}]", :id => "selection[#{model_title}]", :value => true, :disabled => false}
%label{:for => "selection[#{model_title}]"}
= model.title.gsub("_", " ")
%a{:href=>"#details", :id => "linkDetails#{model_title}", :title=>"#{model_title} details", :style=>"font-size:small;"}
[Details]
:javascript
$("a#linkDetails#{model_title}").click(function () {
$("#details_#{@detail_count}").toggle();
//document.location = document.location + "#" + "details";
});
#details{:id => "#{@detail_count}", :style=> "display:none;"}
%h3 Model Details:
//%p= "Training Dataset:\t#{model[RDF::OT.trainingDataset]}"
%p{:style=>"display:inline;"} Algorithm:
%code{:style=>"font-size:x-large;"} lazar
%p Type: classification
%p Training compounds: 828
%p{:style=>"display:inline;"} Descriptors:
%a{:href=>"http://www.maunz.de/libfminer2-bbrc-doc/", :title=>"link opens in new window.", :target=>"_blank"} Fminer backbone refinement classes
//%p= "Training Dataset:\t#{model[RDF::OT.trainingDataset]}"
//%p= "Feature Dataset:\t#{model[RDF::OT.featureDataset]}"
%h3 Validation:
%a{:href => "http://lazar-services.in-silico.ch/validation/report/crossvalidation/25", :title=>"Link opens in new window.", :target=>"_blank"}
Detailed report link
/%p Number of predictions: integer
/%p Correct predictions: %
%br
.arrow
%img{:src=>"/images/arrow_down_float.png", :alt=>"v", :class=> "arrow"}
%fieldset#bottom
%h1
3. Predict
%input{ :type => "submit", :id => "submit", :value=>">>", :onclick => "(getsmiles() & showcircle())", :style=>"height:30px;width:30px;"}
%img{:src=>"/images/wait30trans.gif", :alt=>"processing", :class=>"circle", :style=>"display:none;background-color:white;margin-left:10%;border:solid 1px;vertical-align:middle;"}
|
