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We perform a stochastic neighborhood embedding and identify clusters of spectra, and demonstrate that these clusters are correlated with the covalent structure of the molecules. Secondly, we propose a simple and efficient method, aided by a quantum simulator, to extract the NMR spectrum of any hypothetical molecule described by a parametric Heisenberg model. Thirdly, we propose a simple variational Bayesian inference procedure for extracting Hamiltonian parameters of experimentally relevant NMR spectra.Patients with atrial fibrillation (AF
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