. 2022 May 27;15(6):670. doi: 10.3390/ph15060670

Table 4.

External validation results of the MLR and MNLR models.

Molecule Number	Observed Log₁₀IC₅₀	Predicted Log₁₀IC₅₀(MLR)	Predicted Log₁₀IC₅₀(MNLR)
9 *	0.000	0.545	0.380
16 *	0.903	2.285	2.134
27 *	1.255	3.051	3.342
28 *	2.324	3.083	3.372
35 *	0.477	−0.158	−0.164
36 *	0.602	−0.414	−0.429
39 *	0.301	−0.304	−0.046

* Indicates test set molecules.