The merits of using mechanistic models to guide the selection of a design space for drug substance manufacture are discussed. In conjunction with a process risk assessment and well-defined quality attributes, mechanistic models enable the development of robust and cost-effective processes that ensure drug substance quality. A three-stage approach to build the predictive models involves: (a) mechanistic studies towards the description of the elementary steps that define the transformations of interest, (b) regression of model parameters using an experimental building data set, and (c) model evaluation using an experimental verification data set. Case studies will illustrate the application of mechanistic models to define process conditions that facilitate the control of critical impurities while maximizing reaction yields and ensuring that other impurities remain within their purging capability.

Mechanistic studies toward the development of predictive models

253rd National Meeting (2017)

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