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

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Author(s): Kyaw Zeyar Myint | Xiang-Qun Xie

Journal: International Journal of Molecular Sciences
ISSN 1422-0067

Volume: 11;
Issue: 10;
Start page: 3846;
Date: 2010;
Original page

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

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.
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