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  • Poster presentation
  • Open Access

Free-Wilson in the 21st Century – evolution of a versatile toolkit for SAR analysis

Journal of Cheminformatics20113 (Suppl 1) :P6

  • Published:


  • 21st Century
  • Drug Discovery
  • Chemistry Input
  • Discovery Project
  • Numerical Detail
When drug discovery projects are transferred, then rapidly assessing the available SAR in both overview and in numerical detail is a prerequisite for effective computational chemistry input. Following multiple company acquisitions, regular requirements for the approach has led to an effective and fast platform for Free-Wilson [1] based SAR review: in fact the utility is sufficient that it can for a useful reporting or project browsing tool for the busy modeller. Figure 1

Figure 1

In this talk it is shown how a carefully crafted PDF report can be combined with “on the fly” Matched Molecular Pair [2] and other drill downs to provide a versatile platform for SAR exploration and presentation that is appealing and to medicinal chemists.

Authors’ Affiliations

MSD, Newhouse, Scotland, ML5 1SH, UK


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  2. Leach AG, Jones HD, Cosgrove DA, Kenny PW, Ruston L, MacFaul P, Wood JM, Colclough N, Law B: Matched molecular pairs as a guide in the optimization of pharmaceutical properties; a study of aqueous solubility, plasma protein binding and oral exposure. J Med Chem. 2006, 49: 6672-6682. 10.1021/jm0605233.View ArticleGoogle Scholar