What are the Challenges in Applying QSAR to Catalysis?
Despite its advantages, QSAR modeling in catalysis faces several challenges. One major challenge is the quality and quantity of experimental data required to build robust models. Catalytic systems are often complex, and their activities can be influenced by numerous factors, making it difficult to capture all relevant information through molecular descriptors. Moreover, the non-linear relationships between structure and activity can complicate model building and validation.
