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Should we wait for the selection algorithm to reach 1?

Tuesday, 29 September 2009 19:58
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Ed Champness

The maximum value that can be achieved for the optimal selection will depend on chemical structure, properties and any diversity metric used, along with the characteristics of the compound set from which the selection is being made. Commonly, this optimal value will be less than 1, unless your data set is small. Even in the cases where it is possible it could take a long time to achieve so we recommend you wait until the plot reaches a plateau.

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