Figure 3From: Building blocks for automated elucidation of metabolites: natural product-likeness for candidate rankingPerformance of SENECA using the new fitness evaluators. 100 sequential runs were performed for every 41 test case, i.e. 4100 runs each for the NMR_only and NMR_NP evaluations. The NMR_NP judge predicted the correct solutions more often than the NMR_only judge. Correct candidates were retrieved in the solution set in 1470/4100 runs, and 1096/4100 runs, using NMR_NP and NMR_only, respectively.Back to article page