An Automated Selectivity Optimization Routine for PAT Model Development Demonstrated by Concentration Analysis for API and Related Impurities

Description:
An automated PLS tool for the linear regression optimization of 2-D pixelated datasets has been generated and tested with several process analytical technology case studies. The function inputs the spectra of a calibration set containing one or more components along with their known concentration data and outputs a linear regression model of best fit for each component. The utility of the optimization function for PAT model development has been demonstrated with varying chemical mixtures and operators. This algorithm simplifies the development of accurate concentration models by reducing or eliminating the need for offline spectral interpretation, assignment, as well as pre-processing and post-processing. The algorithm enables users with little experience to create linear regression models for multiple analytes from complex mixtures with performance metrics comparable to offline expert analysis. For several of the studies reported, an accurate concentration model can be developed in less than 10 minutes.

Speaker: Tom Roper - Virginia Commonwealth University
Bio: Professor Thomas Roper is a professor in the Chemical and Life Science Engineering Department at VCU and
Director of Pharmaceutical Engineering. His team’s expertise is in the development of novel syntheses and
continuous processes including PAT implementation, as well as empirical and dynamic modeling. Currently the
Roper lab is responsible for working within the Medicines for All team to develop CM for pharmaceuticals and
transfer them to the Phlow corporation for implementation. Dr. Roper was the PI for the technology transfer
portion of the Pharmacy on Demand (PoD) project (post MIT) where his team successfully modified the previous
CM process to ensure production of ciprofloxacin to meet regulatory standards for purity. Prior to this Dr. Roper
had a lengthy career at GlaxoSmithKline Pharmaceuticals (GSK) where he held a number of scientific and
organizational leadership positions including the Global Head of Exploratory Development Sciences.