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

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 / Revised: 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. 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
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).
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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.

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