Pharmaceutical profiling assays contribute key data that contributes to the lead optimization process in early drug discovery. The use of multivariate data analysis and experimental design helps in the effective utilization of these data in the optimization process. The utility of profiling data, MVA, and DoE has been illustrated with an example taken from an early drug discovery program, AcpS inhibitors. Permeability and solubility data were of particular use for optimizing antibacterial activity in this program.
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