File: FindingMappings.htm

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<!DOCTYPE html PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
<html>
<head>
  <link rel="stylesheet" type="text/css" href="RD.css">
  <meta content="text/html; charset=ISO-8859-1"
 http-equiv="content-type">
   <title>Finding Pharmacophore Mappings</title>
</head>
<body>
<h2>
<!--
<Object type="application/x-oleobject" classid="clsid:1e2a7bd0-dab9-11d0-b93a-00c04fc99f9e">
	<param name="Keyword" value="mappings">
	<param name="Keyword" value="mappings, finding">
	<param name="Keyword" value="pharmcophore mappings">
</object> -->	
<a name="Finding_Mappings"></a>Finding Mappings</h2>
Potential mappings of the pharmacophore onto the molecule are found as
follows:<br>
<ol>
  <li>Lists of all matches the molecule has for each of the
pharmacophore's features are created</li>
  <li>All possible combinations of these matches are generated</li>
</ol>
At this stage in the search process, the pharmacophore distances are
not used. The only constraint on the mappings is that a single atom may
not be involved in more than one feature in the mapping. This&nbsp;
improves efficiency by removing degenerate pharmacophores from
consideration.<br>


</body>
</html>