This paper have three parts. Firstly, support vector machine (SVM) is adopted to correct 180 free energies of small or medium organic molecules based on DFT calculations.

本文首先采用支持向量机方法（SVM）对基于DFT计算结果的180个有机小尺度、中型尺度分子自由能进行了校正。

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This paper have three parts. Firstly, support vector machine (SVM) is adopted to correct 180 free energies of small or medium organic molecules based on DFT calculations.

本文首先采用支持向量机方法（SVM）对基于DFT计算结果的180个有机小尺度、中型尺度分子自由能进行了校正。

youdao