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

Table 2. Applied Statistical Parameters in This Studya.

introduced parameters introduced parameters equations
coefficient of determination
graphic file with name ci4c02095_m006.jpg 4
adjustable coefficient of determination
graphic file with name ci4c02095_m007.jpg 5
leave-one-out cross-validated coefficient of determination
graphic file with name ci4c02095_m008.jpg 6
Fisher function
graphic file with name ci4c02095_m009.jpg 7
standard residual
graphic file with name ci4c02095_m010.jpg 8
root-mean-square error (RMSE)
graphic file with name ci4c02095_m011.jpg 9
average absolute deviation
graphic file with name ci4c02095_m012.jpg 10
average absolute relative deviation %
graphic file with name ci4c02095_m013.jpg 11
maximum leverage
graphic file with name ci4c02095_m014.jpg 12
a

Yiexp, Yipre, Inline graphic, n, and p demonstrate experimental values (ln-Based), predicted values (ln-Based), average experimental values (ln-Based), the number of the experimental data set, and the number of employed descriptors, respectively.