1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33
|
<!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
improves efficiency by removing degenerate pharmacophores from
consideration.<br>
</body>
</html>
|