A comparison of calculated and experimental parameters as sources of structural information: the case of lipophilicity-related descriptors

Mini Rev Med Chem. 2003 Dec;3(8):821-30. doi: 10.2174/1389557033487665.

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.

Publication types

  • Comparative Study
  • Research Support, Non-U.S. Gov't
  • Review

MeSH terms

  • Chemical Phenomena
  • Chemistry, Pharmaceutical
  • Chemistry, Physical
  • Lipids / chemistry*
  • Models, Molecular*
  • Pharmaceutical Preparations / chemistry*
  • Quantitative Structure-Activity Relationship*

Substances

  • Lipids
  • Pharmaceutical Preparations