论文信息 - Large Virtual Enhancement of a 13C NMR Database. A Structural Crowning Extrapolation Method Enabling Spectral Data Transfer

Large Virtual Enhancement of a 13C NMR Database. A Structural Crowning Extrapolation Method Enabling Spectral Data Transfer

A method for creating virtual spectral information by ordered combination of generic DARC primitives is proposed. Structural crowns are generated and define ∼300 million potential environments around the 8587 available primitives. The associated spectral data are induced by controlled transfer from spectral maps characterizing the primitives forming the crown. This virtual enhancement of knowledge fills the gaps inherent to an experimental data bank by defining the potential influence of environments absent from this bank on their core primitive.

Jacques-Emile Dubois | Michel Carabedian

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