The topic of Big Data has strongly entered into predictive and computational toxicology, and is here in order to stay. However, not only the data is big, large are also computational models (the so-called QSAR models) derived from these data. Therefore, the management of computational models in the context of Big Data needs more attention and efforts, so that the models remain transparent and independently verifiable.
With this in mind, an overview of issues related to the organization of QSAR models was compiled. The extensive review of representing QSAR-s in the era of Big Data was recently published in the book titled “Big Data in Predictive Toxicology”. This book chapter provides an in-depth overview and comparison of the files and data formats used to organize predictive models, as well as model storage solutions in the data expansion era.
Your QsarDB development team.