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Figure 4 | BMC Bioinformatics

Figure 4

From: Building blocks for automated elucidation of metabolites: natural product-likeness for candidate ranking

Figure 4

Number of times the correct candidate was ranked first among the retrieved cases. Correct structures were predicted for 36/41 test cases in total. Of the correctly predicted cases, 9/34 and 17/35 were ranked first using the NMR_only and NMR_NP judges, respectively, showing that the application of NP-likeness frequently improved the rank of the correct solution.

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BMC Bioinformatics

ISSN: 1471-2105

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