From eda9748be6465bbe27dca7792ecc1b691faff3d9 Mon Sep 17 00:00:00 2001
From: olas <olas@users.noreply.github.com>
Date: Tue, 9 Jan 2024 12:22:10 +0000
Subject: [PATCH] deploy: 74a3b3140f12d1de52974a2d85fe5e4392923d3b

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@@ -263,6 +263,13 @@ <h4>Latest publications</h4>
                 <div class="card blog-item">
                         
                         
+                                <a href="/publication/2024-insights-drug-cardiotoxicity-biological-chemical-data-dictrank/">
+                                    Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA DICTrank
+                                </a>Seal S, Spjuth O, Hosseini-Gerami L, Garcia-Ortegon M, Singh S, Bender A, Carpenter AE.. <i>Journal of Chemical Information and Modeling</i>&nbsp;Accepted:&nbsp;(2024)<p/>
+                            <div class="clearfix"></div>
+                        
+                        
+                        
                                 <a href="/publication/2023-pixels-phenotype-cellpainting-cellhealth/">
                                     From Pixels to Phenotypes: Integrating Image-Based Profiling with Cell Health Data Improves Interpretability
                                 </a>Seal S, Carreras-Puigvert J, Carpenter AE, Spjuth O, Bender A.. <i>Molecular Biology of the Cell</i>&nbsp;Accepted:&nbsp;(2023)<p/>
@@ -283,13 +290,6 @@ <h4>Latest publications</h4>
                             <div class="clearfix"></div>
                         
                         
-                        
-                                <a href="/publication/2023-disease-phenotype-prediction-multiple-sclerosis/">
-                                    Disease phenotype prediction in multiple sclerosis
-                                </a>Herman S, Arvidsson McShane S, Zhukovsky C, Khoonsari PE, Svenningsson A, Burman J, Spjuth O, Kultima K.. <i>iScience</i>&nbsp;26:6&nbsp;(2023)<p/>
-                            <div class="clearfix"></div>
-                        
-                        
                         <div style="width=100%"><a href="/publication/" style="float:right">More publications &raquo;</a></div>
                             <div class="clearfix"></div>
 				</div>
diff --git a/index.xml b/index.xml
index 2b75465b9..5c2bb36e5 100644
--- a/index.xml
+++ b/index.xml
@@ -492,6 +492,15 @@ This software stack can be used by research groups who would like to set up cust
       <description>RDFIO is a project to bring RDF data import functionality to Semantic MediaWiki (SMW) to enable using SMW as a collaborative platform for editing semantic data. This functionality enables important usage scenarios such as bootstrapping a wiki structure from RDF data, full round-trip between the RDF data format used on the Semantic Web and the SMW wiki text format and creating mash-ups combining automatically imported datasets and manually created summations and visualiations using the inline query language and visualization functionality available in SMW.</description>
     </item>
     
+    <item>
+      <title>Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA DICTrank</title>
+      <link>http://pharmb.io/publication/2024-insights-drug-cardiotoxicity-biological-chemical-data-dictrank/</link>
+      <pubDate>Mon, 08 Jan 2024 00:00:00 +0200</pubDate>
+      
+      <guid>http://pharmb.io/publication/2024-insights-drug-cardiotoxicity-biological-chemical-data-dictrank/</guid>
+      <description></description>
+    </item>
+    
     <item>
       <title>From Pixels to Phenotypes: Integrating Image-Based Profiling with Cell Health Data Improves Interpretability</title>
       <link>http://pharmb.io/publication/2023-pixels-phenotype-cellpainting-cellhealth/</link>
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+
+    <head>
+  <meta charset="utf-8">
+  <title>Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA DICTrank | pharmb.io - Pharmaceutical Bioinformatics Research Group at Uppsala University</title>
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+        <h1 style="font-size: 1.4em">Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA DICTrank</h1>
+        <p><a href="/publication">&larr; Back to publications</a></p>
+
+        <p>Published: 2024-01-08</p>
+
+        <h4>Formatted citation</h4>
+        <p>
+            Seal S, Spjuth O, Hosseini-Gerami L, Garcia-Ortegon M, Singh S, Bender A, Carpenter AE..
+            <a href="http://dx.doi.org/" target="_blank">Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA DICTrank</a>.
+            <br><em>Journal of Chemical Information and Modeling</em>.
+            <strong>Accepted</strong> (2024).
+            
+            
+        </p>
+        <h4>Abstract</h4>
+        <p>Drug-induced cardiotoxicity (DICT) is a major concern in drug development, accounting for 10-14% of postmarket withdrawals. In this study, we explored the capabilities of chemical and biological data to predict cardiotoxicity, using the recently released DICTrank dataset from the United States FDA. We found that such data, including protein targets, especially those related to ion channels (e.g. hERG), physicochemical properties (e.g. electrotopological state) and peak concentration in plasma offer strong predictive ability for DICT. Compounds annotated with mechanisms of action such as cyclooxygenase inhibition could distinguish between most-concern and no-concern DICT. Cell Painting features for ER stress discerned most-concern cardiotoxic from non-toxic compounds. Models based on physicochemical properties provided substantial predictive accuracy (AUCPR = 0.93). With the availability of -omics data in the future, using biological data promises enhanced predictability and deeper mechanistic insights, paving the way for safer drug development.</p>
+
+            </div>
+</div>
+
+      <div class="section-footer">
+    <div class="section-footer-container w-container">
+        
+        <div class="footer-text">
+            <p>
+            <strong>Pharmaceutical Bioinformatics Research Group</strong><br>
+            Department of Pharmaceutical Biosciences<br>
+            Uppsala University, Sweden<br>
+            GitHub: <a href="https://github.com/pharmbio">github.com/pharmbio</a>
+            </p>
+        </div>
+    </div>
+  </div>
+
+  <script src="https://ajax.googleapis.com/ajax/libs/jquery/2.2.0/jquery.min.js" type="text/javascript"></script>
+  <script src="/js/webflow.js" type="text/javascript"></script>
+  
+</body>
+</html>
+
diff --git a/publication/index.html b/publication/index.html
index 76fb887aa..ea29ce51f 100644
--- a/publication/index.html
+++ b/publication/index.html
@@ -7,7 +7,7 @@
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@@ -88,6 +88,8 @@ <h2>Preprints</h2>
                             
                         
                             
+                        
+                            
                                 <div style="padding-bottom: 1em; margin: 1em 0; border-bottom: 1px dotted #ccc;">
                                 
                                 
@@ -613,6 +615,49 @@ <h2>Preprints</h2>
                         
                             
                         
+                        
+                            <h2>2024</h2>
+                            
+                                
+                                    <div style="padding-bottom: 1em; margin: 1em 0; border-bottom: 1px dotted #ccc;">
+                                    
+                                    
+                                        
+                                        <span class="nowrap">Seal S,</span>
+                                        
+                                    
+                                        
+                                        <span class="nowrap">Spjuth O,</span>
+                                        
+                                    
+                                        
+                                        <span class="nowrap">Hosseini-Gerami L,</span>
+                                        
+                                    
+                                        
+                                        <span class="nowrap">Garcia-Ortegon M,</span>
+                                        
+                                    
+                                        
+                                        <span class="nowrap">Singh S,</span>
+                                        
+                                    
+                                        
+                                        <span class="nowrap">Bender A,</span>
+                                        
+                                    
+                                        
+                                        <span class="nowrap">Carpenter AE.</span>
+                                        
+                                    
+                                    <br><a href="/publication/2024-insights-drug-cardiotoxicity-biological-chemical-data-dictrank/">Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA DICTrank</a>
+                                        <br><em>Journal of Chemical Information and Modeling</em>.
+                                        <strong>Accepted</strong> (2024).
+                                        
+                                        
+                                    </div>
+                                
+                            
                         
                             <h2>2023</h2>
                             
diff --git a/publication/index.xml b/publication/index.xml
index 984d8e34c..9a4a07037 100644
--- a/publication/index.xml
+++ b/publication/index.xml
@@ -6,11 +6,20 @@
     <description>Recent content in Publication on PharmBio</description>
     <generator>Hugo -- gohugo.io</generator>
     <language>en-us</language>
-    <lastBuildDate>Fri, 22 Dec 2023 00:00:00 +0200</lastBuildDate>
+    <lastBuildDate>Mon, 08 Jan 2024 00:00:00 +0200</lastBuildDate>
     
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+    <item>
+      <title>Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA DICTrank</title>
+      <link>http://pharmb.io/publication/2024-insights-drug-cardiotoxicity-biological-chemical-data-dictrank/</link>
+      <pubDate>Mon, 08 Jan 2024 00:00:00 +0200</pubDate>
+      
+      <guid>http://pharmb.io/publication/2024-insights-drug-cardiotoxicity-biological-chemical-data-dictrank/</guid>
+      <description></description>
+    </item>
+    
     <item>
       <title>From Pixels to Phenotypes: Integrating Image-Based Profiling with Cell Health Data Improves Interpretability</title>
       <link>http://pharmb.io/publication/2023-pixels-phenotype-cellpainting-cellhealth/</link>
diff --git a/rightcol-front/index.html b/rightcol-front/index.html
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+    <lastmod>2024-01-08T00:00:00+02:00</lastmod>
+  </url>
+  
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     <loc>http://pharmb.io/publication/2023-pixels-phenotype-cellpainting-cellhealth/</loc>
     <lastmod>2023-12-22T00:00:00+02:00</lastmod>
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