Docking and pharmacophore-based alignment comparative molecular field analysis three-dimensional quantitative structure-activity relationship analysis of dihydrofolate reductase inhibitors by linear and nonlinear calibration methods-Reference-Cited by-同舟云学术

Docking and pharmacophore-based alignment comparative molecular field analysis three-dimensional quantitative structure-activity relationship analysis of dihydrofolate reductase inhibitors by linear and nonlinear calibration methods

Published:2013-08-15 Issue:10 Volume:27 Page:287-296
ISSN:0886-9383
Container-title:Journal of Chemometrics
language:en
Short-container-title:J. Chemometrics

Author:

Ghasemi Jahan B.¹,Meftahi Nastaran¹,Pirhadi Somayeh¹,Tavakoli Hossein¹

Affiliation:

1. Chemistry Faculty; K. N. Toosi University of Technology; Tehran; Iran

Publisher

Wiley

Subject

Applied Mathematics,Analytical Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/cem.2515/fullpdf

Reference49 articles.

1. Development of quantitative structure-activity relationships and its application in rational drug design;Yang;Curr. Pharm. Design.,2006

2. Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins;Cramer;J. Am. Chem. Soc.,1988

3. GA strategy for variable selection in QSAR studies: GA-based PLS analysis of calcium channel antagonists;Hasegawa;J. Chem. Inf. Comput. Sci.,1997

4. Generating optimal linear PLS estimations (GOLPE): an advanced chemometric tool for handling 3D-QSAR problems;Baroni;Quant. Struct.-Act. Relat.,2006

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