Analogue-based approaches in anti-cancer compound modelling: the relevance of QSAR models

Background QSAR is among the most extensively used computational methodology for analogue-based design. The application of various descriptor classes like quantum chemical, molecular mechanics, conceptual density functional theory (DFT)- and docking-based descriptors for predicting anti-cancer activ...

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Veröffentlicht in:Organic and medicinal chemistry letters 2011-07, Vol.1 (1), p.3-3, Article 3
Hauptverfasser: Bohari, Mohammed Hussaini, Srivastava, Hemant Kumar, Sastry, Garikapati Narahari
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Sprache:eng
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