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. 2021 Mar 11;121(8):4561–4677. doi: 10.1021/acs.chemrev.0c00752

Table 6. Advantages and Disadvantages of Mathematical Modeling and Data-Driven Modelinga.

mathematical modeling (section 8.2.2) data-driven modeling (section 8.2.1)
provides a mechanistic relation between inputs and outputs provides a statistical relationship between inputs and outputs
capable of handling small (dedicated) data sets requires large (HTS) data sets
upon validation, the model can be used as a predictive tool for difficult or costly to perform experiments upon validation, the model can only make predictions related to existing patterns in the supplied data
deductive inductive
a

Adapted from ref (989).