ADMET

ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) represents a fundamental aspect of modern drug discovery and development, determining the efficacy, safety, and clinical success of candidate compounds. Early evaluation of ADMET parameters is essential to minimize clinical failures caused by poor bioavailability, metabolic instability, or unexpected toxicity. Bioavailability refers to the fraction of an administered drug that reaches systemic circulation in its active form, while Lipinski’s Rule of Five serves as a guideline for assessing the oral drug-likeness of small molecules. With the advancement of computational technology, various in silico tools such as SwissADME, pkCSM, ADMETlab, admetSAR, PreADMET, and Molinspiration have been widely used to predict and optimize pharmacokinetic and toxicological profiles prior to experimental validation. These approaches integrate QSAR modeling, machine learning, and physicochemical descriptors such as logP, TPSA, and molecular weight to estimate absorption, tissue distribution, enzymatic metabolism, excretion, and toxicity potential. By combining computational and experimental strategies, the drug discovery process becomes more efficient, cost-effective, and increases the likelihood of advancing compounds into clinical development.