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
- 27Citations
- 30Captures
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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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