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diversitysel [2013/02/27 15:39] rkiss |
diversitysel [2016/12/27 22:16] (current) rkiss [Algorithm] |
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* Process the matrix elements as follows: | * Process the matrix elements as follows: | ||
- Select the largest off-diagonal element in the similarity matrix | - Select the largest off-diagonal element in the similarity matrix | ||
- | - Eliminate one molecule of the most similar molecule pair randomly | + | - Eliminates one molecule of the most similar molecule pair randomly |
- Go to step 1. if off-diagonal elements remained | - Go to step 1. if off-diagonal elements remained | ||
- Sort the list of eliminated molecules by similarity values associated to the elimination steps in increasing order | - Sort the list of eliminated molecules by similarity values associated to the elimination steps in increasing order |