Table 3.

Results of the external validation. References for the reported BFE: compounds 1–7 (Farabi et al. 2020), compounds 8–17 Khaerunnisa et al. 2020, compounds 18–30 Prasanth et al. 2020

	CAS no.	Compound name	Reported BFE	Predicted BFE	Difference	% error
1	154-23-4	Catechin	− 7.24	− 7.19	− 0.05	0.68
2	39728-80-8	Zingerol	− 5.40	− 5.52	0.12	2.19
3	539-86-6	Allicin	− 4.03	− 3.65	− 0.38	9.41
4	520-18-3	Kaempferol	− 8.58	− 7.21	− 1.37	16.01
5	480-41-1	Naringenin	− 7.89	− 7.17	− 0.72	9.10
6	22608-11-3	Demethoxycurcumin	− 7.99	− 7.21	− 0.78	9.73
7	4670-05-7	Theaflavin	− 9.00	− 8.77	− 0.23	2.51
8	480-10-4	Astragalin	− 8.80	− 7.99	− 0.81	9.25
9	21637-25-2	Isoquercitrin	− 8.70	− 7.97	− 0.73	8.40
10	482-36-0	Hyperoside	− 8.60	− 8.02	− 0.58	6.73
11	81-27-6	Sennoside A	− 8.30	− 8.80	0.50	6.08
12	1415-73-2	Aloin A	− 8.20	− 7.89	− 0.31	3.76
13	38953-85-4	Isovitexin	− 8.00	− 7.93	− 0.07	0.85
14	3463-92-1	Carpaine	− 7.90	− 8.04	0.14	1.80
15	529-92-0	Cusparine	− 7.90	− 7.70	− 0.20	2.58
16	54983-96-9	Piperitol	− 7.80	− 8.00	0.20	2.54
17	520-36-5	Kaempferol	− 7.80	− 7.17	− 0.63	8.05
18	6750-60-3	Spathulenol	− 6.60	− 6.54	− 0.06	0.85
19	83-48-7	Stigmasterol	− 7.10	− 7.46	0.36	5.03
20	925213-53-2	Subamolide A	− 5.50	− 6.11	0.61	11.05
21	530-57-4	Syringic_acid	− 5.50	− 5.53	0.03	0.58
22	21453-69-0	Lirioresinol B	− 7.40	− 7.75	0.35	4.74
23	12798-57-1	Procyanidin-B5	− 7.70	− 8.81	1.11	14.41
24	607-80-7	Sesamin	− 7.60	− 8.32	0.72	9.54
25	485-19-8	Reticuline	− 7.00	− 7.27	0.27	3.86
26	65230-04-8	Anhydrocinnzeylanine	− 6.60	− 7.16	0.56	8.56
27	523-80-8	Apiole	− 5.40	− 6.25	0.85	15.78
28	499-75-2	Carvacrol	− 5.30	− 5.27	− 0.03	0.60
29	87-44-5	Caryophyllene	− 6.20	− 6.33	0.13	2.15
30	23953-63-1	Carpacin	− 5.40	− 6.16	0.76	14.04