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. 2025 Feb 21;65(5):2530–2542. doi: 10.1021/acs.jcim.4c02095

Table 4. Values of Statistical Parameters of Selected QSPR Models for Both of Training and Validation Sets.

eqs. no sets number of data points R2 R2-Adj Q2-LOO Q2-LMO F S RMSE AARD % AAD
(16) training 297 0.99 0.99 0.99 0.98 1937 0.1411 0.1378 33 0.099
  validation 83 0.85           0.3344 30 0.283
(17) training 285 0.98 0.98 0.98 0.98 1062 0.1935 0.1887 29 0.142
  validation 95 0.98           0.1796 29 0.139