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Fig 1.

The schematic overview of the experimental design showing the key stages, from the drying and dehulling of Terminalia catappa fruits, roasting/milling of the nuts, analytical methods involving determinations of nutrients, anti-nutrients, phytochemical, and ADMET properties.

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Fig 2.

Pictorial display of almond fruits, almond nuts, pulverized raw and roasted almond nuts (Terminalia catappa).

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Table 1.

Changes in proximate composition and energy of raw and roasted Terminalia catappa nut samples.

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Table 2.

Changes in vitamin components of raw and roasted Terminalia catappa nut samples.

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Table 3.

Changes in mineral composition of raw and roasted Terminalia catappa nut samples.

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Table 4.

Changes in anti-nutrient and total aflatoxin contents of raw and roasted Terminalia catappa nut samples.

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Fig 3.

GCMS of phytochemicals in raw Terminalia catappa nuts.

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Fig 4.

GCMS of phytochemicals in roasted Terminalia catappa nuts.

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Table 5.

Phytochemical characteristics of raw and roasted Terminalia catappa nut samples.

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Fig 5.

2D structures of identified compounds from Terminalia catappa as retrieved from PubChem database.

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Table 6.

Predicted drug-likeness of the compounds identified from raw and roasted Terminalia catappa nuts.

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Fig 6.

BOILED Egg model to predict GI absorption and brain permeability of the compounds identified from Terminalia catappa nuts.

Key: BBB; Blood-brain barrier (compounds that can penetrate BBB found inside yellow part of the egg), HIA; Human intestinal absorption (compounds that are absorbed by the human intestine in the white part of the egg), PGP+, P-glycoprotein substrate (blue circle on top of PGP+ substrates) and PGP-; P-glycoprotein inhibitor (red circle on top of PGP- inhibitors).

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Table 7.

Pharmacokinetics prediction output of compounds identified from raw and roasted Terminalia catappa nuts.

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Table 8.

Toxicity prediction of compounds identified from raw and roasted Terminalia catappa nuts.

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