International Journal of Molecular Sciences | |
Recent Advances in Fragment-Based QSAR and Multi-Dimensional QSAR Methods | |
Kyaw Zeyar Myint1  | |
[1] Department of Computational Biology, School of Medicine, University of Pittsburgh, Pittsburgh, PA 15260, USA; E-Mail: | |
关键词: QSAR; fragment similarity based; fragment-based; 2D-QSAR; 3D-QSAR; nD-QSAR; | |
DOI : 10.3390/ijms11103846 | |
来源: mdpi | |
【 摘 要 】
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.
【 授权许可】
CC BY
© 2010 by the authors; licensee Molecular Diversity Preservation International, Basel, Switzerland.
【 预 览 】
Files | Size | Format | View |
---|---|---|---|
RO202003190051981ZK.pdf | 402KB | download |