骨景 结果 00000 0●00000000 总 准确度 ■NN with ECFP ☐NN with ECFP+.Coulomb ■RF with ECFP ☐RF with ECFP+.Coulomb 0 12 15 18 21 EMD Distribution of EMD values between each individual NN(top)and RF(middle)predictions and the database spectra.The bottom panel shows the EMDs between random pairs of structures from the database. w@gxu.edu.cn 日卡++4二+5在刀QG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 背景 . . . . . . 方法. . . . . . . . . . . . . . . . . . . . 结果 . . . . 总结. 准确度 Distribution of EMD values between each individual NN (top) and RF (middle) predictions and the database spectra. The bottom panel shows the EMDs between random pairs of structures from the database