In the last two decades, the role of physicochemical parameters has come to the forefront of early stage drug discovery. The primary driver behind this revolution is the fact that the pharmacokinetic properties of hit and lead compounds have become worse and worse. In this chapter, the theoretical background and measurement techniques for the more important physicochemical parameters are introduced from the perspective of the ADME/T processes. Finally, during the last decade a number of significant ADME/T-physicochemical-based structure relationships have been shown to be relevant.
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Cite this chapter as:Gyorgy T. Balogh ;
Physicochemical Characterization of NCEs in Early Stage Drug Discovery, Solubility, Delivery and ADME Problems of Drugs and Drug-Candidates (2011) 1: 33. https://doi.org/10.2174/978160805120511101010033
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