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Recent "qsar" articles

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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
 
Synthesis, antifungal activity and CoMFA analysis of novel 1,2,4-triazolo[1,5-a]pyrimidine derivatives
European Journal of Medicinal Chemistry 43 (3), 595 (2008)
info:doi/10.1016/j.ejmech.2007.04.021
Posted by Papps to CoMFA mobt QSAR teaching on Mon Mar 10 2008 at 02:18 UTC | info | related
 
Change correlations in structure-activity studies using multiple regression analysis.
J G Topliss and R J Costello
Journal of medicinal chemistry 15 (10), 1066-8 (Oct 1972)
info:pmid/5069775
Posted by JALumley to QSAR on Wed Mar 05 2008 at 15:28 UTC | info | related
 
Chance factors in studies of quantitative structure-activity relationships.
J G Topliss and R P Edwards
Journal of medicinal chemistry 22 (10), 1238-44 (Oct 1979)
info:pmid/513071
Posted by JALumley to QSAR on Wed Mar 05 2008 at 15:27 UTC | info | related
 
Amino Acid Index Database
AAindex amino acid index database progress report 2008
Shuichi Kawashima et al.
Nucleic acids research 36 (Database issue), D202-5 (Jan 2008)
info:pmid/17998252 | info:doi/10.1093/nar/gkm998
http://www.genome.jp/aaindex/
Posted by JALumley to aminio acids QSAR on Wed Mar 05 2008 at 15:22 UTC | info | related
 
Estimation of Molecular Linear Free Energy Relation Descriptors Using a Group Contribution Approach
James Platts et al.
Journal of Chemical Information and Computer Sciences 39 (5), 835 (1999)
info:doi/10.1021/ci980339t
Posted by DavidSimonPalmer to ABSOLV molecular descriptors QSPR QSAR cheminformatics on Sat Mar 01 2008 at 08:17 UTC | info | related
 
Why Are Some Properties More Difficult To Predict than Others? A Study of QSPR Models of Solubility, Melting Point, and Log P
Laura Hughes et al.
Journal of Chemical Information and Modeling 48 (1), 220 (2008)
info:doi/10.1021/ci700307p
Posted by DavidSimonPalmer (who is an author) and 1 other to Ant Colony logP melting point random forest QSPR QSAR Solubility support vector machine on Sun Feb 10 2008 at 10:50 UTC | info | related
 
Random forest models to predict aqueous solubility.
D Palmer et al.
Journal of Chemical Information and Modeling 47 (1), 150-8 (2007)
info:pmid/17238260 | info:doi/10.1021/ci060164k
Posted by DavidSimonPalmer (who is an author) and 1 other to Ant Colony random forest QSPR artificial neural network QSAR Solubility neural network support vector machine on Sun Feb 10 2008 at 10:21 UTC | info | related

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