Navigating structure-activity landscapes.
Drug Discov Today
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Abstract | The problem of how to explore structure-activity relationships (SARs) systematically is still largely unsolved in medicinal chemistry. Recently, data analysis tools have been introduced to navigate activity landscapes and to assess SARs on a large scale. Initial investigations reveal a surprising heterogeneity among SARs and shed light on the relationship between 'global' and 'local' SAR features. Moreover, insights are provided into the fundamental issue of why modeling tools work well in some cases, but not in others. |
Year of Publication | 2009
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Journal | Drug Discov Today
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Volume | 14
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Issue | 13-14
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Pages | 698-705
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Date Published | 2009 Jul
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ISSN | 1878-5832
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DOI | 10.1016/j.drudis.2009.04.003
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PubMed ID | 19410012
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