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With this technology, organ models can be subjected to phenomena that replicate the complex in vivo biological environment. Furthermore, the OoC devices constitute a more valuable, cost-effective and ethical option when compared to assays performed in animal models for disease research and drug discovery. However, there are still many challenges in replicating some organs\/diseases in vitro such as the Blood\u2013Brain Barrier (BBB), given its complexity and structure. Despite the difficulties, many efforts have been made to develop improved in vitro BBB-on-a-chip models to investigate several neurological disorders. In the present review, a summary of the progress made in the development of BBB-on-a-chip is provided focusing on the importance of using numerical simulations for obtaining improved models and better planning the experimental assays. 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