Can Molecular Modelling Predict Specific Toxicological Outcomes?
While molecular modelling is a powerful tool, it is not infallible. It can predict potential toxicological outcomes by simulating interactions between molecules and biological targets, such as enzymes or receptors. However, these predictions are typically used in conjunction with experimental data to provide a more comprehensive understanding of a compound's toxicity. The accuracy of predictions depends heavily on the quality of the models and the algorithms used.
