Article ID: 347 - Last Modified: May 3, 2012
If I can't find common pharmacophores when developing a pharmacophore model in Phase, what is the best way forward with the options available to me?
You can try to reduce the number of ligands you are trying to find something in common with (Must match option) or reduce the number of points in the model that you are trying to build. Reducing from 6 point model to a 5-point or less relaxes the criteria. You can set flexible criteria using the Maximum Number of Sites and Minimum Number of Sites options. If Phase cannot find commonality using the Maximum Number of Sites, it will iteratively reduce the number of sites (until it reaches the Minimum Number), and stop when it finds common pharmacophores. This is a useful time-saving feature.
Keywords: Phase, Maestro, pharmacophore
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