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- Title
Recent Advances in Fragment-Based QSAR and Multi-Dimensional QSAR Methods.
- Authors
Myint, Kyaw Zeyar; Xiang-Qun Xie
- 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.
- Subjects
QSAR models; HOLOGRAPHY; AUTOCORRELATION (Statistics); BIOMOLECULES; ALGORITHMS
- Publication
International Journal of Molecular Sciences, 2010, Vol 11, Issue 10, p3846
- ISSN
1661-6596
- Publication type
Article
- DOI
10.3390/ijms11103846