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Figure 3 | Journal of Cheminformatics

Figure 3

From: A new method for the comparison of 1H NMR predictors based on tree-similarity of spectra

Figure 3

Example of a spectra similarity matrix. Rows correspond to experimental spectra and columns to simulated spectra of a 100 molecules data set, matrix elements give the similarity between the corresponding experimental and simulated spectrum. The thin light gray line on the diagonal shows a trend towards higher similarity between the matching spectra, as expected for an accurate NMR predictor.

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