Figure 7From: Building blocks for automated elucidation of metabolites: natural product-likeness for candidate rankingAverage rank of all the correct solutions over the 100 runs for each test case. In addition to predicting the correct structure more often (as shown in Figure 3), the application of NP-likeness, on average, improved the rank of the correct structure among the predicted candidates. The average ranks here are smoothened out by applying loess regression.Back to article page