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1

Department of Computational Biology, School of Medicine, University of Pittsburgh, Pittsburgh, PA 15260, USA

2

Department of Pharmaceutical Sciences, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA 15260, USA

3

Pittsburgh Chemical Methodologies & Library Development PCMLD and Pittsburgh Drug Discovery Institute, University of Pittsburgh, Pittsburgh, PA 15260, USA





*

Author to whom correspondence should be addressed.



Abstract This paper provides an overview of recently developed two dimensional 2D fragment-based QSAR methods as well as other multi-dimensional approaches. In particular, we present recent fragment-based QSAR methods such as fragment-similarity-based QSAR FS-QSAR, fragment-based QSAR FB-QSAR, Hologram QSAR HQSAR, and top priority fragment QSAR in addition to 3D- and nD-QSAR methods such as comparative molecular field analysis CoMFA, comparative molecular similarity analysis CoMSIA, Topomer CoMFA, self-organizing molecular field analysis SOMFA, comparative molecular moment analysis COMMA, autocorrelation of molecular surfaces properties AMSP, weighted holistic invariant molecular WHIM descriptor-based QSAR WHIM, grid-independent descriptors GRIND-based QSAR, 4D-QSAR, 5D-QSAR and 6D-QSAR methods. View Full-Text

Keywords: QSAR; fragment similarity based; fragment-based; 2D-QSAR; 3D-QSAR; nD-QSAR QSAR; fragment similarity based; fragment-based; 2D-QSAR; 3D-QSAR; nD-QSAR





Autor: Kyaw Zeyar Myint 1 and Xiang-Qun Xie 1,2,3,*

Fuente: http://mdpi.com/



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