The molecular structure of a chemical compound plays a pivotal role in its toxicological profile. Structural components such as functional groups, stereochemistry, and molecular size influence how a molecule interacts with biological targets. For instance, the presence of a reactive group may increase a compound's ability to form covalent bonds with cellular proteins, leading to toxic effects. Similarly, stereochemistry can determine the binding affinity to receptors, affecting the potency and type of response elicited.
