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The approach is try numerous size filtering strategies for molecule size and measure # of molecules and conformers.
If this size filter does not workfiltering strategies are not successful, move onto rotatable bond filtering.
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After I get a reasonably sized set of optimized molecules (through a size filtering method or rotatable bond filtration), I will submit these.
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If these strategies cannot produce 3 conformers/molecule, move onto Fragmentation.
Experimental notes:
Clustering method: DBSCAN eps = 0.3, min_samples = 4
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