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Recent "qsar" articles

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A segmented principal component analysis–regression approach to quantitative structure–activity relationship modeling
www.sciencedirect.com
Posted by mnoor to QSAR chemometrics on Mon Jun 29 2009 at 01:57 UTC | info | related
 
Assessing How Well a Modeling Protocol Captures a Structure−Activity Landscape
Journal of Chemical Information and Modeling 48 (8), 1716 (2008)
info:doi/10.1021/ci8001414
Posted by Papps to methyl ethyl futile Rajarshi outliers QSAR teaching on Mon Jun 22 2009 at 00:15 UTC | info | related
 
Structure-Activity Landscape Index: Identifying and Quantifying Activity Cliffs
Journal of Chemical Information and Modeling, (2008)
info:doi/10.1021/ci7004093
Posted by Papps and 1 other to methyl ethyl futile Rajarshi outliers cliffs QSAR teaching on Mon Jun 22 2009 at 00:14 UTC | info | related
 
On Outliers and Activity CliffsWhy QSAR Often Disappoints
Journal of Chemical Information and Modeling 46 (4), 1535 (2006)
info:doi/10.1021/ci060117s
Posted by Papps to methyl ethyl futile Rajarshi outliers maggiore cliffs QSAR teaching on Mon Jun 22 2009 at 00:14 UTC | info | related
 
qsar causality correlation
pubs.acs.org
Posted by danielotto to QSAR causality correlation on Fri Apr 17 2009 at 08:31 UTC | info | related
 
The Trouble with QSAR (or How I Learned To Stop Worrying and Embrace Fallacy)
Stephen Johnson
Journal of Chemical Information and Modeling 48 (1), 25-6 (01 Jan 2008)
Posted by lispace to QSAR on Thu Apr 02 2009 at 17:42 UTC | info | related
 
Pharmacophore modeling study based on known Spleen tyrosine kinase inhibitors together with virtual screening for identifying novel inhibitors
Bioorganic & Medicinal Chemistry Letters 19 (7), 1944 (2009)
info:doi/10.1016/j.bmcl.2009.02.049
Posted by Papps with 1 comment to CoMFA Pharmacophore mobt QSAR teaching on Sat Mar 14 2009 at 23:46 UTC | info | related
 
A Stepwise Approach for Defining the Applicability Domain of SAR and QSAR Models
Journal of Chemical Information and Modeling 45 (4), 839 (2005)
info:doi/10.1021/ci0500381
Posted by astra65 to QSAR on Wed Oct 15 2008 at 08:09 UTC | info | related
 
Comparative QSAR study of tyrosine kinase inhibitors.
A Kurup, R Garg, and C Hansch
Chemical reviews 101 (8), 2573-2600 (Aug 2001)
info:pmid/11749389
Posted by telconia to kinase inhibitor QSAR on Mon Jun 02 2008 at 20:14 UTC | info | related
 
Estimation of pKa Using Semiempirical Molecular Orbital Methods. Part 2: Application to Amines, Anilines and Various Nitrogen Containing Heterocyclic Compounds.
Quantitative Structure-Activity Relationships 21 (5), 473 (2002)
info:doi/10.1002/1521-3838(200211)21:5%3C473::aid-qsar473%3E3.0.co;2-d
Posted by telconia and 1 other to QSPR QSAR PKA on Fri Mar 21 2008 at 16:20 UTC | info | related

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