Computational assessment of the toxicological profiles of various chemicals to which humans are exposed. A review
Daniela Dascălu, Alecu Aurel Ciorsac, Adriana Isvoran · Analele Universităţii "Ovidius" Constanţa. Seria Chimie/"Ovidius" University Annals of Chemistry · 2024
Abstract This study contains a brief description of the common computational methods used in the prediction of the toxicological effects of chemical substances, and a synthetic review of the literature on the results of computational studies on the prediction of the toxicological effects of substances to which humans are frequently exposed: food additives, food contaminants, cosmetic ingredients, drug-related compounds and pesticides. The advantages and limitations of using current computational toxicology in assessing the toxicity of chemicals are also discussed.