diversitysel
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====== Diversity selection ====== | ====== Diversity selection ====== | ||
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This filter selects the most diverse (dissimilar) molecules from collections by eliminating the closest analogs. Diversity selection reduces the size of the input collection and maximizes the coverage of the chemical space at the same time. | This filter selects the most diverse (dissimilar) molecules from collections by eliminating the closest analogs. Diversity selection reduces the size of the input collection and maximizes the coverage of the chemical space at the same time. |
diversitysel.txt · Last modified: 2016/12/27 21:16 by rkiss