Carbon-13 nuclear magnetic resonance spectrum simulation of pyridines and quinolines
Data(s) |
2000
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Resumo |
Artificial neural network (ANN) and multiple linear regression (MLR) were used for the simulation of C-13 NMR chemical shifts of 118 central carbon atoms in 18 pyridines and quinolines. The electronic and geometric features were calculated to describe the environments of the central carbon atom. The results provided by ANN method were better than that achieved by MLR. |
Identificador | |
Idioma(s) |
中文 |
Fonte |
Qi YH;Xu L;Wang SY;Hu JQ.Carbon-13 nuclear magnetic resonance spectrum simulation of pyridines and quinolines,CHINESE JOURNAL OF ANALYTICAL CHEMISTRY,2000,28(8):945-949 |
Palavras-Chave | #NEURAL NETWORKS |
Tipo |
期刊论文 |