forked from enviPath/enviPy
App Domain Pathway Prediction (#47)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch> Reviewed-on: enviPath/enviPy#47
This commit is contained in:
144
static/js/pps.js
144
static/js/pps.js
@ -638,3 +638,147 @@ function fillPRCurve(modelUri, onclick){
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});
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}
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function handleAssessmentResponse(depict_url, data) {
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var inside_app_domain = "<a class='list-group-item'>This compound is " + (data["assessment"]["inside_app_domain"] ? "inside" : "outside") + " the Applicability Domain derived from the chemical (PCA) space constructed using the training data." + "</a>";
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var functionalGroupsImgSrc = null;
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var reactivityCentersImgSrc = null;
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if (data['assessment']['node'] !== undefined) {
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functionalGroupsImgSrc = "<img width='400' src='" + data['assessment']['node']['image'] + "'>";
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reactivityCentersImgSrc = "<img width='400' src='" + data['assessment']['node']['image'] + "'>"
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} else {
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functionalGroupsImgSrc = "<img width='400' src=\"" + depict_url + "?smiles=" + encodeURIComponent(data['assessment']['smiles']) + "\">";
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reactivityCentersImgSrc = "<img width='400' src=\"" + depict_url + "?smiles=" + encodeURIComponent(data['assessment']['smiles']) + "\">"
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}
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tpl = `<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
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<h4 class="panel-title">
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<a id="app-domain-assessment-functional-groups-link" data-toggle="collapse" data-parent="#app-domain-assessment" href="#app-domain-assessment-functional-groups">Functional Groups Covered by Model</a>
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</h4>
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</div>
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<div id="app-domain-assessment-functional-groups" class="panel-collapse collapse">
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<div class="panel-body list-group-item">
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${inside_app_domain}
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<p></p>
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<div id="image-div" align="center">
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${functionalGroupsImgSrc}
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</div>
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</div>
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</div>
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<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
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<h4 class="panel-title">
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<a id="app-domain-assessment-reactivity-centers-link" data-toggle="collapse" data-parent="#app-domain-assessment" href="#app-domain-assessment-reactivity-centers">Reactivity Centers</a>
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</h4>
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</div>
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<div id="app-domain-assessment-reactivity-centers" class="panel-collapse collapse">
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<div class="panel-body list-group-item">
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<div id="image-div" align="center">
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${reactivityCentersImgSrc}
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</div>
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</div>
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</div>`
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var transformations = '';
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for (t in data['assessment']['transformations']) {
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transObj = data['assessment']['transformations'][t];
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var neighbors = '';
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for (n in transObj['neighbors']) {
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neighObj = transObj['neighbors'][n];
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var neighImg = "<img width='100%' src='" + transObj['rule']['url'] + "?smiles=" + encodeURIComponent(neighObj['smiles']) + "'>";
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var objLink = `<a class='list-group-item' href="${neighObj['url']}">${neighObj['name']}</a>`
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var neighPredProb = "<a class='list-group-item'>Predicted probability: " + neighObj['probability'].toFixed(2) + "</a>";
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var pwLinks = '';
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for (pw in neighObj['related_pathways']) {
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var pwObj = neighObj['related_pathways'][pw];
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pwLinks += "<a class='list-group-item' href=" + pwObj['url'] + ">" + pwObj['name'] + "</a>";
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}
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var expPathways = `
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<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
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<h4 class="panel-title">
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<a id="transformation-${t}-neighbor-${n}-exp-pathway-link" data-toggle="collapse" data-parent="#transformation-${t}-neighbor-${n}" href="#transformation-${t}-neighbor-${n}-exp-pathway">Experimental Pathways</a>
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</h4>
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</div>
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<div id="transformation-${t}-neighbor-${n}-exp-pathway" class="panel-collapse collapse">
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<div class="panel-body list-group-item">
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${pwLinks}
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</div>
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</div>
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`
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if (pwLinks === '') {
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expPathways = ''
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}
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neighbors += `
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<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
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<h4 class="panel-title">
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<a id="transformation-${t}-neighbor-${n}-link" data-toggle="collapse" data-parent="#transformation-${t}" href="#transformation-${t}-neighbor-${n}">Analog Transformation on ${neighObj['name']}</a>
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</h4>
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</div>
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<div id="transformation-${t}-neighbor-${n}" class="panel-collapse collapse">
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<div class="panel-body list-group-item">
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${objLink}
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${neighPredProb}
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${expPathways}
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<p></p>
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<div id="image-div" align="center">
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${neighImg}
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</div>
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</div>
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</div>
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`
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}
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var panelName = null;
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var objLink = null;
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if (transObj['is_predicted']) {
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panelName = `Predicted Transformation by ${transObj['rule']['name']}`;
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objLink = `<a class='list-group-item' href="${transObj['edge']['url']}">${transObj['edge']['name']}</a>`
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} else {
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panelName = `Potential Transformation by applying ${transObj['rule']['name']}`;
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objLink = `<a class='list-group-item' href="${transObj['rule']['url']}">${transObj['rule']['name']}</a>`
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}
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var predProb = "<a class='list-group-item'>Predicted probability: " + transObj['probability'].toFixed(2) + "</a>";
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var timesTriggered = "<a class='list-group-item'>This rule has triggered " + transObj['times_triggered'] + " times in the training set</a>";
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var reliability = "<a class='list-group-item'>Reliability: " + transObj['reliability'].toFixed(2) + " (" + (transObj['reliability'] > data['ad_params']['reliability_threshold'] ? ">" : "<") + " Reliability Threshold of " + data['ad_params']['reliability_threshold'] + ") </a>";
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var localCompatibility = "<a class='list-group-item'>Local Compatibility: " + transObj['local_compatibility'].toFixed(2) + " (" + (transObj['local_compatibility'] > data['ad_params']['local_compatibilty_threshold'] ? ">" : "<") + " Local Compatibility Threshold of " + data['ad_params']['local_compatibilty_threshold'] + ")</a>";
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var transImg = "<img width='100%' src='" + transObj['rule']['url'] + "?smiles=" + encodeURIComponent(data['assessment']['smiles']) + "'>";
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var transformation = `
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<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
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<h4 class="panel-title">
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<a id="transformation-${t}-link" data-toggle="collapse" data-parent="#transformation-${t}" href="#transformation-${t}">${panelName}</a>
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</h4>
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</div>
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<div id="transformation-${t}" class="panel-collapse collapse">
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<div class="panel-body list-group-item">
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${objLink}
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${predProb}
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${timesTriggered}
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${reliability}
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${localCompatibility}
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<p></p>
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<div id="image-div" align="center">
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${transImg}
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</div>
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<p></p>
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${neighbors}
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</div>
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</div>
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`
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transformations += transformation;
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}
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res = tpl + transformations;
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$("#appDomainAssessmentResultTable").append(res);
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}
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