Novel Method for Pharmacophore Analysis by Examining the Joint Pharmacophore Space
作者： Sayan Ranu , Ambuj K. Singh
DOI: 10.1021/CI100503Y
关键词:
摘要: We propose a novel method for pharmacophore analysis by examining the Joint Pharmacophore Space of chemical compounds, targets, and chemical/biological properties. The proposed approach is notabl...
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Muhammed A Yıldırım, Kwang-Il Goh, Michael E Cusick, Albert-László Barabási, Marc Vidal, Drug—target network Nature Biotechnology. ,vol. 25, pp. 1119- 1126 ,(2007) , 10.1038/NBT1338
Martin Whittle, Valerie J. Gillet, Peter Willett, Alexander Alex, Jens Loesel, Enhancing the effectiveness of virtual screening by fusing nearest neighbor lists: a comparison of similarity coefficients. Journal of Chemical Information and Computer Sciences. ,vol. 44, pp. 1840- 1848 ,(2004) , 10.1021/CI049867X
Steven L. Dixon, Alexander M. Smondyrev, Shashidhar N. Rao, PHASE: A Novel Approach to Pharmacophore Modeling and 3D Database Searching Chemical Biology & Drug Design. ,vol. 67, pp. 370- 372 ,(2006) , 10.1111/J.1747-0285.2006.00384.X
Robert D. Clark, Daniel J. Webster-Clark, Managing bias in ROC curves. Journal of Computer-aided Molecular Design. ,vol. 22, pp. 141- 146 ,(2008) , 10.1007/S10822-008-9181-Z
Jürgen Bajorath, Integration of virtual and high-throughput screening. Nature Reviews Drug Discovery. ,vol. 1, pp. 882- 894 ,(2002) , 10.1038/NRD941
DAVID J. KETCHEN Jr., CHRISTOPHER L. SHOOK, THE APPLICATION OF CLUSTER ANALYSIS IN STRATEGIC MANAGEMENT RESEARCH: AN ANALYSIS AND CRITIQUE Strategic Management Journal. ,vol. 17, pp. 441- 458 ,(1996) , 10.1002/(SICI)1097-0266(199606)17:6<441::AID-SMJ819>3.0.CO;2-G
Brett R Beno, Jonathan S Mason, The design of combinatorial libraries using properties and 3D pharmacophore fingerprints. Drug Discovery Today. ,vol. 6, pp. 251- 258 ,(2001) , 10.1016/S1359-6446(00)01665-2
Tomoko Niwa, Prediction of biological targets using probabilistic neural networks and atom-type descriptors. Journal of Medicinal Chemistry. ,vol. 47, pp. 2645- 2650 ,(2004) , 10.1021/JM0302795
Helena Strömbergsson, Pawel Daniluk, Andriy Kryshtafovych, Krzysztof Fidelis, Jarl E. S. Wikberg, Gerard J. Kleywegt, Torgeir R. Hvidsten, Interaction model based on local protein substructures generalizes to the entire structural enzyme-ligand space. Journal of Chemical Information and Modeling. ,vol. 48, pp. 2278- 2288 ,(2008) , 10.1021/CI800200E
Yuan H. Zhao, Michael H. Abraham, Adam Ibrahim, Paul V. Fish, Susan Cole, Mark L. Lewis, Marcel J. de Groot, Derek P. Reynolds, Predicting Penetration Across the Blood-Brain Barrier from Simple Descriptors and Fragmentation Schemes Journal of Chemical Information and Modeling. ,vol. 47, pp. 170- 175 ,(2007) , 10.1021/CI600312D