Here, we introduce a multitask machine learning framework that predicts the molecular structure (formula and connectivity) of an unknown compound solely based on its 1D 1 H and/or 13 C NMR spectra.
Laboratory of Carbon and Ceramic Materials, Department of Physics, Federal University of Espírito Santo (UFES), Av. Fernando Ferrari 514, 29075-910 Vitória, Espírito Santo, Brazil ...
Figure 1: Sensitivity and false discovery rates of the MMCD for batch analysis of mixtures using 1 H-13 C HSQC NMR data as a function of the user-controllable peak-matching thresholds. We have ...
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But vitamin C is one of those actually necessary ingredients. The antioxidant promises to do everything from fading dark marks to fighting free radicals (which break down collagen) to diminishing ...