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

International Journal of Molecular Sciences

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.