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Thinking in structure-activity relationships - A way forward towards sustainable chemistry

Clean - Soil, Air, Water, ISSN: 1863-0650, Vol: 35, Issue: 5, Page: 399-405
2007
  • 27
    Citations
  • 0
    Usage
  • 30
    Captures
  • 0
    Mentions
  • 0
    Social Media
Metric Options:   Counts1 Year3 Year

Metrics Details

  • Citations
    27
    • Citation Indexes
      27
  • Captures
    30

Review Description

Thinking in structure-activity relationships (T-SAR) is presented as an approach to a systematic collection and networking of knowledge and hypotheses regarding chemical structures. T-SAR can be accompanied by quantitative correlation studies commonly referred to as quantitative structure-activity relationships (QSAR) or linear free energy relationships (LFER). Some important limitations of these quantitative approaches are illustrated using the examples of biopartitioning and equilibrium partitioning in general. A systematic scheme for the qualitative analysis of a structural formula in seventeen steps is shown, covering stereochemistry, molecular interaction potentials, and reactivity. As an example for the application of T-SAR, contributions to the molecular design of ionic liquids are described. © 2007 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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