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Fig. 5 | Journal of Cheminformatics

Fig. 5

From: An initial investigation of accuracy required for the identification of small molecules in complex samples using quantum chemical calculated NMR chemical shifts

Fig. 5

Mean of ranks with respect to the carbon and proton errors and contour lines for the different level of identification ratios when carbons and protons are used together for a, b Set I (water soluble molecules) and c, d Set II (chloroform soluble molecules). b and d are the zoomed versions of a and c, respectively. The color bars represent the rankings

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Journal of Cheminformatics

ISSN: 1758-2946

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