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. 2021 Oct 1;22:49. doi: 10.1186/s12860-021-00386-2

Table 3.

Toxicity Prediction results of the bioactive compounds using PreADMET Web server

S/N Compounds Carcinogenic test (Mouse) HERG Inhibition BBB PWS (mg/L) SP HIA PPB BS
1 Neoxanthine Negative Medium risk 9.010 0.020 − 0796 95.175 92.807 0.0549
2 Violaxanthine Negative Medium risk 9.300 0.007 −0.806 96.428 91.271 0.918
3 Betacarotene Negative Medium risk 25.995 2.646 −0.609 100.000 100.000 3.363
4 Lutein Negative Medium risk 16.260 0.003 −0.648 95.521 100.000 0.002
5 Donepezil Negative Medium risk 0.188 6.236 −3.042 97.951 84.616 5.101

Legend: BBB Blood Brain Barrier partition coefficient, PWS Pure Water Solubility, SP Skin Permeability, HIA Human Intestinal Absorption, PPB Plasma Protein Binding, and BS Buffer Solubility