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@@ -20,6 +20,8 @@ Prediction of chemical shift in NMR: A review
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INFOS：spectrum fitting software for NMR analysis 2017
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INFOS：spectrum fitting software for NMR analysis 2017
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+有几个**AI预测化学位移**的方法：[Transfer Learning from Simulation to Experimental Data: NMR Chemical Shift Predictions](https://pubs.acs.org/doi/10.1021/acs.jpclett.1c00578), [CASCADE](https://github.com/patonlab/CASCADE),[Real-time prediction of 1H and 13C chemical shifts with DFT accuracy using a 3D graph neural network](https://pubs.rsc.org/en/content/articlehtml/2021/sc/d1sc03343c)
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谱峰的拟合公式：
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谱峰的拟合公式：
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https://docs.mantidproject.org/nightly/fitting/fitfunctions/PseudoVoigt.html 还有拟合函数的判断
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https://docs.mantidproject.org/nightly/fitting/fitfunctions/PseudoVoigt.html 还有拟合函数的判断
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