QSBR Study of Bitter Taste of Peptides: Application of GA-PLS in Combination with MLR, SVM, and ANN Approaches

Table 1

Details of previously developed QSBR models.

No.	Descriptors	Model	𝑞^2 (CV)	𝑅^2	RMSE	Ref.
1	MS-WHIM	PLS	0.633	0.704	nd*	[18]
2	ISA-ECI	PLS	Nd	0.847	nd	[19]
3	𝑧-scales	PLS	0.713	0.824	0.26	[20]
4	GRID	PLS	0.780	nd	nd	[21]
5	MHDV	PCR	0.864	0.919	0.18	[22]
6	MEEV (M3)	MLR	0.588	0.773	0.34	[23]
7	MEEV (M4)	MLR	0.677	0.734	0.34	[23]
8	SSIA-AM1	PLS	0.837	0.85	0.25	[24]
9	SSIA-PM3	PLS	0.829	0.888	0.22	[24]
10	SSIA-HF	PLS	0.798	0.844	0.25	[24]
11	SSIA-DFT	PLS	0.741	0.856	0.24	[24]
12	MARCH-INSIDE	MLR	0.860	0.881	0.23	[25]
13	Constitutional	MLR	0.820	0.846	0.26	[25]
14	Topological	MLR	0.890	0.91	0.20	[25]
15	Molecular	MLR	0.580	0.618	0.39	[25]
16	BCUT	MLR	0.720	0.783	0.30	[25]
17	Galvez	MLR	0.560	0.617	0.40	[25]
18	2D	MLR	0.710	0.753	0.32	[25]
19	Randic	MLR	0.512	0.559	0.42	[25]
20	Geometrical	MLR	0.895	0.909	0.20	[25]
21	RDF	MLR	0.814	0.851	0.25	[25]
22	3D-MoRSE	MLR	0.880	0.914	0.20	[25]
23	GETAWAY	MLR	0.857	0.889	0.22	[25]
24	WHIM	MLR	0.799	0.861	0.25	[25]
25	SZOTT	PLS	0.736	0.908	0.20	[26]
26	VSW	PLS	0.696	0.868	0.24	[16]
27	V	MLR	0.921	0.948	0.17	[15]
28	E	MLR	0.888	0.940	0.21	[27]
29	E	SVR	0.912	0.962	0.12	[17]
30	𝑧-scores	PLS	0.800	0.850	nd	[3]

 *No data.