Comparison of Linear and Nonlinear Classification Algorithms for the Prediction of Drug and Chemical Metabolism by Human UDP-Glucuronosyltransferase Isoforms
暂无分享,去创建一个
Paul A. Smith | Frank R. Burden | David A. Winkler | Michael J. Sorich | John O. Miners | Ross A. McKinnon | F. Burden | D. Winkler | J. Miners | R. Mckinnon | M. Sorich | Paul A. Smith
[1] Bernhard Schölkopf,et al. New Support Vector Algorithms , 2000, Neural Computation.
[2] Frank R. Burden,et al. Atomistic topological indices applied to benzodiazepines using various regression methods , 1998 .
[3] F. Burden. A CHEMICALLY INTUITIVE MOLECULAR INDEX BASED ON THE EIGENVALUES OF A MODIFIED ADJACENCY MATRIX , 1997 .
[4] Christopher M. Bishop,et al. Neural networks for pattern recognition , 1995 .
[5] J. Miners,et al. Pharmacophore and quantitative structure activity relationship modelling of UDP-glucuronosyltransferase 1A1 (UGT1A1) substrates. , 2002, Pharmacogenetics.
[6] Gisbert Schneider,et al. A fast virtual screening filter for cytochrome P450 3A4 inhibition liability of compound libraries , 2002 .
[7] Gunnar Rätsch,et al. An introduction to kernel-based learning algorithms , 2001, IEEE Trans. Neural Networks.
[8] P. Mackenzie,et al. Structural and functional studies of UDP-glucuronosyltransferases. , 1999, Drug metabolism reviews.
[9] Bruce L. Bush,et al. Sample-distance partial least squares: PLS optimized for many variables, with application to CoMFA , 1993, J. Comput. Aided Mol. Des..
[10] F. Burden,et al. A quantitative structure--activity relationships model for the acute toxicity of substituted benzenes to Tetrahymena pyriformis using Bayesian-regularized neural networks. , 2000, Chemical research in toxicology.
[11] György M Keseru,et al. A neural network based virtual screening of cytochrome P450 3A4 inhibitors. , 2002, Bioorganic & medicinal chemistry letters.
[12] Ian T. Nabney,et al. Netlab: Algorithms for Pattern Recognition , 2002 .
[13] L B Kier,et al. Molecular connectivity. 4. Relationships to biological activities. , 1975, Journal of medicinal chemistry.
[14] Frank R. Burden,et al. Quantitative Structure-Activity Relationship Studies Using Gaussian Processes , 2001, J. Chem. Inf. Comput. Sci..
[15] Yvonne C. Martin,et al. The Information Content of 2D and 3D Structural Descriptors Relevant to Ligand-Receptor Binding , 1997, J. Chem. Inf. Comput. Sci..
[16] D W Nebert,et al. The UDP glycosyltransferase gene superfamily: recommended nomenclature update based on evolutionary divergence. , 1997, Pharmacogenetics.
[17] Thomas Hofmann,et al. Predicting CNS Permeability of Drug Molecules: Comparison of Neural Network and Support Vector Machine Algorithms , 2002, J. Comput. Biol..
[18] R. Tukey,et al. Human UDP-glucuronosyltransferases: metabolism, expression, and disease. , 2000, Annual review of pharmacology and toxicology.
[19] R. Czerminski,et al. Use of Support Vector Machine in Pattern Classification: Application to QSAR Studies , 2001 .
[20] J. Miners,et al. Drug glucuronidation in humans. , 1991, Pharmacology & therapeutics.
[21] Ismael Zamora,et al. Discriminant and quantitative PLS analysis of competitive CYP2C9 inhibitors versus non-inhibitors using alignment independent GRIND descriptors , 2002, J. Comput. Aided Mol. Des..
[22] Frank R. Burden,et al. Use of Automatic Relevance Determination in QSAR Studies Using Bayesian Neural Networks , 2000, J. Chem. Inf. Comput. Sci..
[23] Martyn G. Ford,et al. Unsupervised Forward Selection: A Method for Eliminating Redundant Variables , 2000, J. Chem. Inf. Comput. Sci..
[24] S. Wold,et al. The Collinearity Problem in Linear Regression. The Partial Least Squares (PLS) Approach to Generalized Inverses , 1984 .
[25] F. Burden,et al. Robust QSAR models using Bayesian regularized neural networks. , 1999, Journal of medicinal chemistry.
[26] J. Miners,et al. Pharmacophore and quantitative structure-activity relationship modeling: complementary approaches for the rationalization and prediction of UDP-glucuronosyltransferase 1A4 substrate selectivity. , 2003, Journal of medicinal chemistry.