The inevitable QSAR renaissance
暂无分享,去创建一个
[1] Bernd Wendt,et al. Toluidinesulfonamide hypoxia-induced factor 1 inhibitors: alleviating drug-drug interactions through use of PubChem data and comparative molecular field analysis guided synthesis. , 2011, Journal of medicinal chemistry.
[2] Stephen R. Johnson,et al. The Trouble with QSAR (or How I Learned To Stop Worrying and Embrace Fallacy) , 2008, J. Chem. Inf. Model..
[3] T. Gelder,et al. Therapeutic Drug Monitoring for Mycophenolic Acid Is Value for (Little) Money , 2011 .
[4] Stefan H. Unger,et al. Model building in structure-activity relations. Reexamination of adrenergic blocking activity of .beta.-halo-.beta.-arylalkylamines , 1973 .
[5] D. E. Patterson,et al. Crossvalidation, Bootstrapping, and Partial Least Squares Compared with Multiple Regression in Conventional QSAR Studies , 1988 .
[6] John Manchester,et al. SAMFA: Simplifying Molecular Description for 3D-QSAR , 2008, J. Chem. Inf. Model..
[7] Arthur M. Doweyko,et al. 3D-QSAR illusions , 2004, J. Comput. Aided Mol. Des..
[8] S. Free,et al. A MATHEMATICAL CONTRIBUTION TO STRUCTURE-ACTIVITY STUDIES. , 1964, Journal of medicinal chemistry.
[9] C E Berkoff,et al. Substructural analysis. A novel approach to the problem of drug design. , 1974, Journal of medicinal chemistry.
[10] Bernd Wendt,et al. Pushing the boundaries of 3D-QSAR , 2007, J. Comput. Aided Mol. Des..
[11] D R Abernethy,et al. Integration of Diverse Data Sources for Prediction of Adverse Drug Events , 2011, Clinical pharmacology and therapeutics.
[12] A. Tropsha,et al. Beware of q2! , 2002, Journal of molecular graphics & modelling.
[13] R. M. Muir,et al. Correlation of Biological Activity of Phenoxyacetic Acids with Hammett Substituent Constants and Partition Coefficients , 1962, Nature.
[14] Bernd Wendt,et al. Quantitative Series Enrichment Analysis (QSEA): a novel procedure for 3D-QSAR analysis , 2008, J. Comput. Aided Mol. Des..
[15] D. Hawkins,et al. Analysis of a Large Structure‐Activity Data Set Using Recursive Partitioning , 1997 .
[16] Charles C. Persinger,et al. How to improve R&D productivity: the pharmaceutical industry's grand challenge , 2010, Nature Reviews Drug Discovery.
[17] C. Hansch,et al. p-σ-π Analysis. A Method for the Correlation of Biological Activity and Chemical Structure , 1964 .
[18] Richard D. Cramer,et al. Rethinking 3D-QSAR , 2010, J. Comput. Aided Mol. Des..
[19] Gerald M. Maggiora,et al. On Outliers and Activity Cliffs-Why QSAR Often Disappoints , 2006, J. Chem. Inf. Model..
[20] Yvonne Martin. Overview of Quantitative Drug Design , 2010 .
[21] Brian B. Masek,et al. Virtual Screening for R-Groups, including Predicted pIC50 Contributions, within Large Structural Databases, Using Topomer CoMFA , 2008, J. Chem. Inf. Model..
[22] Barry L. Levinson,et al. Quantitative Drug Design: A Critical Introduction , 1979, The Yale Journal of Biology and Medicine.
[23] Christopher S. Foote,et al. Chemistry of singlet oxygen. XVII. 1,4-Addition products from styrene derivatives , 1973 .
[24] B. Kowalski,et al. Pattern recognition. II. Linear and nonlinear methods for displaying chemical data , 1973 .
[25] Richard D. Cramer,et al. Chapter 31: Quantitative Drug Design , 1976 .
[26] R. D. Clark,et al. Taming the combinatorial centipede , 1997 .
[27] Bernd Wendt,et al. Capturing Structure-Activity Relationships from Chemogenomic Spaces , 2011, J. Chem. Inf. Model..
[28] Gary Tresadern,et al. Modeling approaches for ligand-based 3D similarity. , 2010, Future medicinal chemistry.
[29] T Scior,et al. How to recognize and workaround pitfalls in QSAR studies: a critical review. , 2009, Current medicinal chemistry.
[30] J. Dearden,et al. How not to develop a quantitative structure–activity or structure–property relationship (QSAR/QSPR) , 2009, SAR and QSAR in environmental research.
[31] S. Wold,et al. The Collinearity Problem in Linear Regression. The Partial Least Squares (PLS) Approach to Generalized Inverses , 1984 .
[32] Yvonne C. Martin. Why you should read Dr. Cramer’s perspective , 2011, J. Comput. Aided Mol. Des..
[33] R. Cramer,et al. Topomer CoMFA: a design methodology for rapid lead optimization. , 2003, Journal of medicinal chemistry.
[34] R. Rosenfeld. Nature , 2009, Otolaryngology--head and neck surgery : official journal of American Academy of Otolaryngology-Head and Neck Surgery.