Int. J. Mol. Sci. 2010, 11(10), 3846-3866; doi:10.3390/ijms11103846
Review

Recent Advances in Fragment-Based QSAR and Multi-Dimensional QSAR Methods

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.
Received: 27 August 2010; in revised form: 17 September 2010 / Accepted: 23 September 2010 / Published: 8 October 2010
(This article belongs to the Special Issue Recent Advances in QSAR/QSPR Theory)
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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.
Keywords: QSAR; fragment similarity based; fragment-based; 2D-QSAR; 3D-QSAR; nD-QSAR

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MDPI and ACS Style

Myint, K.Z.; Xie, X.-Q. Recent Advances in Fragment-Based QSAR and Multi-Dimensional QSAR Methods. Int. J. Mol. Sci. 2010, 11, 3846-3866.

AMA Style

Myint KZ, Xie X-Q. Recent Advances in Fragment-Based QSAR and Multi-Dimensional QSAR Methods. International Journal of Molecular Sciences. 2010; 11(10):3846-3866.

Chicago/Turabian Style

Myint, Kyaw Zeyar; Xie, Xiang-Qun. 2010. "Recent Advances in Fragment-Based QSAR and Multi-Dimensional QSAR Methods." Int. J. Mol. Sci. 11, no. 10: 3846-3866.

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