What are the Challenges in Molecular Modelling for Toxicology?
Despite its benefits, molecular modelling faces several challenges. One major issue is the accurate representation of biological environments, such as the presence of various ions and molecules that can affect interactions. Another challenge is the need for high-quality input data, as inaccurate data can lead to misleading results. Additionally, the computational cost associated with complex simulations can be significant, requiring advanced hardware and software solutions.
