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Issue 2, 2012
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Methods for SAR visualization

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There has been steadily increasing interest in the systematic analysis of structure–activity relationship (SAR) information contained in compound data sets of different size, composition, and origin. In this contribution, we provide an overview of SAR analysis in medicinal chemistry and review computational approaches of different design and sophistication that make it possible to analyze SARs on a large scale. Special emphasis is put on recently introduced SAR visualization methods that are expanding the scope of traditional SAR analysis in medicinal chemistry.

Graphical abstract: Methods for SAR visualization

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The article was received on 20 Oct 2011, accepted on 09 Nov 2011 and first published on 23 Nov 2011

Article type: Review Article
DOI: 10.1039/C1RA00924A
Citation: RSC Adv., 2012,2, 369-378
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    Methods for SAR visualization

    D. Stumpfe and J. Bajorath, RSC Adv., 2012, 2, 369
    DOI: 10.1039/C1RA00924A

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