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. 2013 Mar 13;8(3):e58571. doi: 10.1371/journal.pone.0058571

Figure 4. Results for the virtual library of 3000 fragments comparing randomly constructed (orange) and optimized (blue) libraries.

Figure 4

The parameters and values tested were: library size (A-D: 500, 1000, 3000 and 5000, respectively); peak distribution (strongly aliphatic, strongly aromatic and balanced); and number of compounds per mixture (5, 8, 10, 15 and 20). For each set of conditions, the SA algorithm was run one hundred times independently.