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Carbohydrate Structure Generalization Scheme for Database-Driven Simulation of Experimental Observables, Such as NMR Chemical Shifts

Roman R. Kapaev, Ksenia S. Egorova, Philip Toukach. Carbohydrate Structure Generalization Scheme for Database-Driven Simulation of Experimental Observables, Such as NMR Chemical Shifts. Journal of Chemical Information and Computer Sciences, 54(9):2594-2611, 2014. [doi]

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