Method development screening designs

This chapter will cover recent developments in the design of diverse and protein family-targeted libraries, their physicochemical properties, and contemporary methods for screening them. 

Andersson M. Ringberg A. Gustafsson C. Multivariate methods in tablet formulation suitable for early drug development Predictive models from a screening design of several linked responses. Chemometrics and Intelligent Laboratory Systems, 2007, 87 (1), 151-156. 

To apply a screening approach to proactive method development, analyses of selectivity samples under a variety of mobile phase conditions are conducted on different HPLC columns. HPLC columns should be as orthogonaT as possible and variations in solvent composition should be designed to maximize the probability of selectivity differences. Alternate separation techniques, such as ion exchange chromatography (IC), supercritical fluid chromatography (SFC), or capillary electrophoresis (CE) may also be used to obtain orthogonality. 

Separation processes (both liquid-liquid and gas-liquid) are a key element in many industrial processes. For this application, solvent molecules are built from UNIFAC submolecular groups, and the relevant properties of the new molecules such as distribution coefficients and selectivities are estimated. Strategies for the design of solvents for separation processes were initially formulated and later extended to better model the processes of solvent synthesis, solvent evaluation, and solvent screening. A method for solvent design for liquid-liquid extraction has been developed. 

---