The Predictive QSAR Model for hERG Inhibitors Using Bayesian and Random Forest Classification Method
暂无分享,去创建一个
Chong Hak Chae | Nam Sook Kang | N. Kang | C. Chae | Jun Hyoung Kim | Shin Myung Kang | Joopyung Lee | Gil Nam Lee | Soon Hee Hwang | Joo Yon Lee
[1] A. Brown,et al. Drugs, hERG and sudden death. , 2004, Cell calcium.
[2] T. Nishikawa,et al. A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors. , 2005, Bioorganic & medicinal chemistry letters.
[3] Max K Leong,et al. A novel approach using pharmacophore ensemble/support vector machine (PhE/SVM) for prediction of hERG liability. , 2007, Chemical research in toxicology.
[4] W. Crumb,et al. Three-dimensional quantitative structure-activity relationship for inhibition of human ether-a-go-go-related gene potassium channel. , 2002, The Journal of pharmacology and experimental therapeutics.
[5] Alex M Aronov,et al. Predictive in silico modeling for hERG channel blockers. , 2005, Drug discovery today.
[6] Matthew Clark,et al. Development and Evaluation of an in Silico Model for hERG Binding , 2006, J. Chem. Inf. Model..
[7] A. Cavalli,et al. Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers. , 2002, Journal of medicinal chemistry.
[8] Gerhard F. Ecker,et al. Classification Models for hERG Inhibitors by Counter‐Propagation Neural Networks , 2008, Chemical biology & drug design.
[9] Meir Glick,et al. Enrichment of High-Throughput Screening Data with Increasing Levels of Noise Using Support Vector Machines, Recursive Partitioning, and Laplacian-Modified Naive Bayesian Classifiers , 2006, J. Chem. Inf. Model..
[10] G. Keserü. Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods. , 2003, Bioorganic & medicinal chemistry letters.
[11] T J Campbell,et al. HERG K+ channels: friend and foe. , 2001, Trends in pharmacological sciences.
[12] R. Baierlein. Probability Theory: The Logic of Science , 2004 .
[13] Hongmao Sun,et al. An Accurate and Interpretable Bayesian Classification Model for Prediction of hERG Liability , 2006, ChemMedChem.
[14] Leo Breiman,et al. Random Forests , 2001, Machine Learning.
[15] Lupei Du,et al. A novel structure-based virtual screening model for the hERG channel blockers. , 2007, Biochemical and biophysical research communications.
[16] Roy J. Vaz,et al. Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches. , 2003, Bioorganic & medicinal chemistry letters.
[17] Jun Chen,et al. A structural basis for drug-induced long QT syndrome. , 2000, Proceedings of the National Academy of Sciences of the United States of America.
[18] Michael C Hutter,et al. Determination of hERG channel blockers using a decision tree. , 2006, Bioorganic & medicinal chemistry.
[19] Hongmao Sun,et al. Support vector machines classification of hERG liabilities based on atom types. , 2008, Bioorganic & medicinal chemistry.