2.16. Drug-Likeness and ADMET Predictions

Except amino acids, the SMILES (Simplified Molecular Input Line Entry System) of other 48 phytochemicals identified through LC-ESI-MS/MS were subjected to online available web servers including pkCSM (http://biosig.unimelb.edu.au/pkcsm/prediction; accessed on 11 August 2022) and SWISS ADME (http://www.swissadme.ch; accessed on 11 August 2022) for the evaluation of the drug-like nature and absorption, distribution, metabolism and excretion and toxicity (ADMET) parameters of these targeted compounds by keeping in view the already established principles of Lipinski’s rule of five [57,58,59].