While Derek Nexus is a powerful tool, it is not without limitations:
Dependence on existing data: The accuracy of predictions is highly dependent on the breadth and depth of the available data in the knowledge base. For novel compounds or those with limited data, predictions may be less reliable. Structural complexity: Complex chemical structures may pose challenges for accurate predictions, particularly if they contain multiple functional groups or novel moieties. False positives/negatives: Like any predictive model, Derek Nexus may occasionally produce false positives or negatives, necessitating further validation through experimental approaches.
