A Comparison of Calculated and Experimental Parameters as Sources of Structural Information: The Case of Lipophilicity-Related Descriptors

Title: A Comparison of Calculated and Experimental Parameters as Sources of Structural Information: The Case of Lipophilicity-Related Descriptors

Volume: 3 Issue: 8

Author(s): Giulia Caron and Giuseppe Ermondi

Affiliation:

Keywords: log p, log d, partitioning system, clogp, distribution profile, folding

Abstract: This review is organized in three parts: firstly there is a general overview of recent developments in lipophilicity written to induce medicinal chemists to question what they want to obtain from this kind of study; secondly, the state-of-the-art of experimental and computational determination of log P is briefly reviewed; finally, some applications are discussed to illustrate how much information can be extracted from lipophilicity, and to highlight the difficulty of obtaining a reliable, general method to work with.

Cite this article as:

Caron Giulia and Ermondi Giuseppe, A Comparison of Calculated and Experimental Parameters as Sources of Structural Information: The Case of Lipophilicity-Related Descriptors, Mini-Reviews in Medicinal Chemistry 2003; 3 (8) . https://dx.doi.org/10.2174/1389557033487665