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updated DS model documentation.
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<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN"> | ||
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<html> | ||
<head> | ||
<meta http-equiv="Content-Type" content="text/html; charset=iso-8859-1"> | ||
<title>Aquatic Toxicity</title> | ||
<link rel="stylesheet" href="../../PRODUCT_PLUGIN/narrow_book.css" type="text/css"> | ||
</head> | ||
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<body> | ||
<h1>Aquatic Toxicity</h1> | ||
<a href="http://en.wikipedia.org/wiki/Aquatic_toxicology">Aquatic toxicology</a> is the study of the effects of manufactured chemicals on aquatic organisms. | ||
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<p> | ||
<h2>Daphnid assay</h2> | ||
<a href="http://en.wikipedia.org/wiki/Daphnia">Daphnia</a> are small, planktonic crustaceans widely used in aquatic toxicity testing. | ||
A list of structural alerts (SMARTS) consiting of 18 manually created SMARTS from the publication below was kindly supported by Emma Schymanski. | ||
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<p> | ||
<h2>References</h2> | ||
Peter C. von der Ohe, Ralph Kühne,Ralf-Uwe Ebert, Rolf Altenburger, Matthias Liess, and Gerrit Schüürmann<br> | ||
<a href="http://pubs.acs.org/doi/abs/10.1021/tx0497954">Structural Alerts: A New Classification Model to Discriminate Excess Toxicity from Narcotic Effect Levels of Organic Compounds in the Acute Daphnid Assay</a><br> | ||
<i>Chemical Research in Toxicology</i> 2005 18 (3), 536-555<br> | ||
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</body> | ||
</html> |
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<?xml version="1.0" encoding="UTF-8"?> | ||
<?NLS TYPE="org.eclipse.help.toc"?> | ||
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<toc link_to="../net.bioclipse.ds.ui/toc.xml#ContributedEndpoints" label="Aquatic Toxicity" > | ||
<topic label="Aquatic Toxicity" href="html/daphnia.html" /> | ||
</toc> |
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icons/,\ | ||
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models/ | ||
jars.compile.order = | ||
models/,\ | ||
html/ | ||
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<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN"> | ||
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<html> | ||
<head> | ||
<meta http-equiv="Content-Type" content="text/html; charset=iso-8859-1"> | ||
<title>hERG</title> | ||
<link rel="stylesheet" href="../../PRODUCT_PLUGIN/narrow_book.css" type="text/css"> | ||
</head> | ||
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<body> | ||
<h1>hERG</h1> | ||
<a href="http://en.wikipedia.org/wiki/Herg">Human Ether-a-go-go-Related Gene (hERG)</a> encodes the the alpha subunit of a potassium ion channel, | ||
best known for its contribution to the electrical activity of the heart that coordinates the heart's beating. | ||
If inhibited or compromised, such as by a drug, it can result in a potentially fatal disorder called long QT syndrome. | ||
hERG inhibition is hence an important antitarget that must be avoided during drug development. | ||
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<h2>Data source</h2> | ||
The dataset has 806 molecules of the hERG activities in total, collected from literature.<br> | ||
Data kindly provided by the <a href=""http://cadd.suda.edu.cn/admet/downloads/hERG">PharmacoKinetics KnowledgeBase</a>. | ||
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<h2>References</h2> | ||
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Thai KM, Ecker GF.<br> | ||
<a href="http://www.sciencedirect.com/science/article/pii/S0968089608000345">A binary QSAR model for classification of hERG potassium channel blockers.</a><br> | ||
<i>Bioorg Med Chem.</i> 2008 Apr 1;16(7):4107-19. Epub 2008 Jan 16.<br> | ||
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</body> | ||
</html> |
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<?xml version="1.0" encoding="UTF-8"?> | ||
<?NLS TYPE="org.eclipse.help.toc"?> | ||
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<toc link_to="../net.bioclipse.ds.ui/toc.xml#ContributedEndpoints" label="Carcinogenicity" > | ||
<topic label="Carcinogenicity" href="html/carcinogenicity.html" /> | ||
</toc> | ||
<toc link_to="../net.bioclipse.ds.ui/toc.xml#ContributedEndpoints" label="hERG" > | ||
<topic label="hERG" href="html/herg.html" /> | ||
</toc> |