forked from enviPath/enviPy
[Fix] Remove bootsrap code from AD (#257)
Closes #251 Reviewed-on: enviPath/enviPy#257 Co-authored-by: Tobias O <tobias.olenyi@envipath.com> Co-committed-by: Tobias O <tobias.olenyi@envipath.com>
This commit is contained in:
@ -20,3 +20,16 @@ LOG_LEVEL='INFO'
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SERVER_URL='http://localhost:8000'
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PLUGINS_ENABLED=True
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EP_DATA_DIR='data'
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EMAIL_HOST_USER='admin@envipath.com'
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EMAIL_HOST_PASSWORD='dummy-password'
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DEFAULT_FROM_EMAIL="test@test.com"
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SERVER_EMAIL='test@test.com'
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# Testing settings VScode
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DJANGO_SETTINGS_MODULE='envipath.settings'
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MANAGE_PY_PATH='./manage.py'
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APPLICABILITY_DOMAIN_ENABLED=True
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ENVIFORMER_PRESENT=True
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MODEL_BUILDING_ENABLED=True
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1
.gitignore
vendored
1
.gitignore
vendored
@ -16,4 +16,5 @@ node_modules/
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static/css/output.css
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*.code-workspace
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.vscode/
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/pnpm-workspace.yaml
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122
static/js/pps.js
122
static/js/pps.js
@ -704,7 +704,7 @@ function makeLoadingGif(attachOb) {
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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 inside_app_domain = "<p class='mb-2'>This compound is " + (data["assessment"]["inside_app_domain"] ? "inside" : "outside") + " the Applicability Domain derived from the chemical (PCA) space constructed using the training data.</p>";
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var functionalGroupsImgSrc = null;
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var reactivityCentersImgSrc = null;
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@ -716,29 +716,22 @@ function handleAssessmentResponse(depict_url, data) {
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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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tpl = `<div class="collapse collapse-arrow bg-base-200">
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<input type="checkbox" checked />
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<div class="collapse-title text-xl font-medium">Functional Groups Covered by Model</div>
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<div class="collapse-content">
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${inside_app_domain}
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<p></p>
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<div id="image-div" align="center">
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<div class="flex justify-center my-4">
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${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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<div class="collapse collapse-arrow bg-base-200 mt-2">
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<input type="checkbox" checked />
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<div class="collapse-title text-xl font-medium">Reactivity Centers</div>
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<div class="collapse-content">
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<div class="flex justify-center my-4">
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${reactivityCentersImgSrc}
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</div>
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</div>
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@ -752,45 +745,41 @@ function handleAssessmentResponse(depict_url, data) {
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for (n in transObj['neighbors']) {
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neighObj = transObj['neighbors'][n];
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var neighImg = "<img width='100%' src='" + transObj['rule']['url'] + "?smiles=" + encodeURIComponent(neighObj['smiles']) + "'>";
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var objLink = `<a class='list-group-item' href="${neighObj['url']}">${neighObj['name']}</a>`
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var neighPredProb = "<a class='list-group-item'>Predicted probability: " + neighObj['probability'].toFixed(2) + "</a>";
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var pwLinks = '';
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var pwLinksHtml = '';
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if (neighObj['related_pathways'] && Object.keys(neighObj['related_pathways']).length > 0) {
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pwLinksHtml = '<ul class="menu bg-base-100 rounded-box w-full">';
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for (pw in neighObj['related_pathways']) {
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var pwObj = neighObj['related_pathways'][pw];
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pwLinks += "<a class='list-group-item' href=" + pwObj['url'] + ">" + pwObj['name'] + "</a>";
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pwLinksHtml += `<li><a href="${pwObj['url']}" class="link link-primary">${pwObj['name']}</a></li>`;
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}
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pwLinksHtml += '</ul>';
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}
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var expPathways = `
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<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
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<h4 class="panel-title">
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<a id="transformation-${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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var expPathways = '';
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if (pwLinksHtml !== '') {
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expPathways = `
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<div class="collapse collapse-arrow bg-base-200 mt-2">
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<input type="checkbox" />
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<div class="collapse-title font-medium">Experimental Pathways</div>
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<div class="collapse-content">
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${pwLinksHtml}
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</div>
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</div>
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`
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if (pwLinks === '') {
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expPathways = ''
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`;
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}
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neighbors += `
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<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
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<h4 class="panel-title">
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<a id="transformation-${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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<div class="collapse collapse-arrow bg-base-100 mt-2">
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<input type="checkbox" />
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<div class="collapse-title text-lg font-medium">Analog Transformation on ${neighObj['name']}</div>
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<div class="collapse-content">
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<ul class="menu bg-base-100 rounded-box w-full">
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<li><a href="${neighObj['url']}" class="link link-primary">${neighObj['name']}</a></li>
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<li>Predicted probability: ${neighObj['probability'].toFixed(2)}</li>
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</ul>
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${expPathways}
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<p></p>
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<div id="image-div" align="center">
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<div class="flex justify-center my-4">
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${neighImg}
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</div>
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</div>
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@ -799,43 +788,38 @@ function handleAssessmentResponse(depict_url, data) {
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}
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var panelName = null;
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var objLink = null;
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var objLinkUrl = null;
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var objLinkText = null;
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if (transObj['is_predicted']) {
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panelName = `Predicted Transformation by ${transObj['rule']['name']}`;
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for (e in transObj['edges']) {
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objLink = `<a class='list-group-item' href="${transObj['edges'][e]['url']}">${transObj['edges'][e]['name']}</a>`
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objLinkUrl = transObj['edges'][e]['url'];
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objLinkText = transObj['edges'][e]['name'];
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break;
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}
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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']}">${transObj['rule']['name']}</a>`
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objLinkUrl = transObj['rule']['url'];
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objLinkText = transObj['rule']['name'];
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}
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var predProb = "<a class='list-group-item'>Predicted probability: " + transObj['probability'].toFixed(2) + "</a>";
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var timesTriggered = "<a class='list-group-item'>This rule has triggered " + transObj['times_triggered'] + " times in the training set</a>";
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var reliability = "<a class='list-group-item'>Reliability: " + transObj['reliability'].toFixed(2) + " (" + (transObj['reliability'] > data['ad_params']['reliability_threshold'] ? ">" : "<") + " Reliability Threshold of " + data['ad_params']['reliability_threshold'] + ") </a>";
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var localCompatibility = "<a class='list-group-item'>Local Compatibility: " + transObj['local_compatibility'].toFixed(2) + " (" + (transObj['local_compatibility'] > data['ad_params']['local_compatibility_threshold'] ? ">" : "<") + " Local Compatibility Threshold of " + data['ad_params']['local_compatibility_threshold'] + ")</a>";
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var transImg = "<img width='100%' src='" + transObj['rule']['url'] + "?smiles=" + encodeURIComponent(data['assessment']['smiles']) + "'>";
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var transformation = `
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<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
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<h4 class="panel-title">
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<a id="transformation-${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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${localCompatibility}
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<p></p>
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<div id="image-div" align="center">
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<div class="collapse collapse-arrow bg-base-200 mt-2">
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<input type="checkbox" />
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<div class="collapse-title text-xl font-medium">${panelName}</div>
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<div class="collapse-content">
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<ul class="menu bg-base-100 rounded-box w-full">
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<li><a href="${objLinkUrl}" class="link link-primary">${objLinkText}</a></li>
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<li>Predicted probability: ${transObj['probability'].toFixed(2)}</li>
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<li>This rule has triggered ${transObj['times_triggered']} times in the training set</li>
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<li>Reliability: ${transObj['reliability'].toFixed(2)} (${(transObj['reliability'] > data['ad_params']['reliability_threshold'] ? ">" : "<")} Reliability Threshold of ${data['ad_params']['reliability_threshold']})</li>
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<li>Local Compatibility: ${transObj['local_compatibility'].toFixed(2)} (${(transObj['local_compatibility'] > data['ad_params']['local_compatibility_threshold'] ? ">" : "<")} Local Compatibility Threshold of ${data['ad_params']['local_compatibility_threshold']})</li>
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</ul>
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<div class="flex justify-center my-4">
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${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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