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. 2022 Aug 15;7(34):29787–29793. doi: 10.1021/acsomega.2c02554

Table 1. Best Accuracy Scores for the Weak Models Compared with the Ramprasad Model at Train/Test Split Ratio 80/20.

  R2
RMSE (eV)
 
model train test train test number of bits
Ramprasad29 0.96 0.90 0.28 0.44 600
A-FP (A) 0.94 0.90 0.35 0.46 4096
AC-FP (A) 0.95 0.90 0.33 0.45  
L-FP (A) 0.96 0.91 0.29 0.44  
R-FP (A) 0.97 0.90 0.27 0.45  
A-FP (B) 0.94 0.90 0.36 0.45 256
AC-FP (B) 0.95 0.90 0.33 0.45  
L-FP (C) 0.96 0.91 0.30 0.42 512
R-FP (C) 0.96 0.91 0.28 0.43