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Table 3 Toxicity Prediction results of the bioactive compounds using PreADMET Web server

From: Evaluation of selected carotenoids of Lycopersicon esculentum variants as therapeutic targets for ‘Alzheimer’s disease: an in silico approach

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

  1. 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