Next Article in Journal
Three-Dimensional Models of the Oligomeric Human Asialoglycoprotein Receptor (ASGP-R)
Next Article in Special Issue
3D-QSAR and Molecular Docking Studies on Derivatives of MK-0457, GSK1070916 and SNS-314 as Inhibitors against Aurora B Kinase
Previous Article in Journal
Flexible Two-Dimensional Square-Grid Coordination Polymers: Structures and Functions
Previous Article in Special Issue
Molecular Modeling Studies of 4,5-Dihydro-1H-pyrazolo[4,3-h] quinazoline Derivatives as Potent CDK2/Cyclin A Inhibitors Using 3D-QSAR and Docking
Int. J. Mol. Sci. 2010, 11(10), 3846-3866; doi:10.3390/ijms11103846
Review

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

1
 and
1,2,3,*
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)
View Full-Text   |   Download PDF [403 KB, uploaded 19 June 2014]   |   Browse Figures

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.
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).
SciFeed

Share & Cite This Article

Further Mendeley | CiteULike
Export to BibTeX |
EndNote |
RIS
MDPI and ACS Style

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.

View more citation formats

Related Articles

Article Metrics

For more information on the journal, click here

Comments

[Return to top]
Int. J. Mol. Sci. EISSN 1422-0067 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert