The Role of Data Mining in the Identification of Bioactive Compounds via High‐Throughput Screening
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Florian Nigsch | Jeremy L. Jenkins | Ansgar Schuffenhauer | Kamal Azzaoui | Edgar Jacoby | Ansgar Schuffenhauer | Maxim Popov | John P. Priestle | Allen Cornett | Thibault Varin
[1] J. Baell,et al. New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays. , 2010, Journal of medicinal chemistry.
[2] Christopher P Austin,et al. High-throughput screening assays for the identification of chemical probes. , 2007, Nature chemical biology.
[3] Brad T. Sherman,et al. Bioinformatics enrichment tools: paths toward the comprehensive functional analysis of large gene lists , 2008, Nucleic acids research.
[4] Ramesh Padmanabha,et al. HTS quality control and data analysis: a process to maximize information from a high-throughput screen. , 2005, Combinatorial chemistry & high throughput screening.
[5] 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..
[6] Ricardo Macarron,et al. Critical review of the role of HTS in drug discovery. , 2006, Drug discovery today.
[7] D. Bojanic,et al. Impact of high-throughput screening in biomedical research , 2011, Nature Reviews Drug Discovery.
[8] Ansgar Schuffenhauer,et al. Rule‐Based Classification of Chemical Structures by Scaffold , 2011, Molecular informatics.
[9] Robert P Bywater,et al. Recognition of privileged structures by G-protein coupled receptors. , 2004, Journal of medicinal chemistry.
[10] Natalia Markova,et al. Structural basis for the interaction between tankyrase-2 and a potent Wnt-signaling inhibitor. , 2010, Journal of medicinal chemistry.
[11] M. Murcko,et al. Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins. , 1999, Journal of medicinal chemistry.
[12] Robert Nadon,et al. Statistical practice in high-throughput screening data analysis , 2006, Nature Biotechnology.
[13] Lorenz M Mayr,et al. The Future of High-Throughput Screening , 2008, Journal of biomolecular screening.
[14] Meir Glick,et al. Prediction of Biological Targets for Compounds Using Multiple-Category Bayesian Models Trained on Chemogenomics Databases , 2006, J. Chem. Inf. Model..
[15] John P Priestle. 3-D clustering: a tool for high throughput docking , 2009, Journal of molecular modeling.
[16] M. Murcko,et al. Kinase-likeness and kinase-privileged fragments: toward virtual polypharmacology. , 2008, Journal of medicinal chemistry.
[17] Gavin Harper,et al. Methods for mining HTS data. , 2006, Drug discovery today.
[18] Stefan Wetzel,et al. The Scaffold Tree - Visualization of the Scaffold Universe by Hierarchical Scaffold Classification , 2007, J. Chem. Inf. Model..
[19] Marc W. Kirschner,et al. Tankyrase inhibition stabilizes axin and antagonizes Wnt signalling , 2009, Nature.
[20] Robert P. Sheridan. Finding Multiactivity Substructures by Mining Databases of Drug-Like Compounds , 2003, J. Chem. Inf. Comput. Sci..
[21] Jordi Mestres,et al. Identification of "latent hits" in compound screening collections. , 2003, Journal of medicinal chemistry.
[22] Peter Ertl,et al. Compound Set Enrichment: A Novel Approach to Analysis of Primary HTS Data , 2010, J. Chem. Inf. Model..
[23] Xuefeng Bruce Ling. High throughput screening informatics. , 2008, Combinatorial chemistry & high throughput screening.
[24] Brian K Shoichet,et al. A detergent-based assay for the detection of promiscuous inhibitors , 2006, Nature Protocols.
[25] Vladimir Makarenkov,et al. Using machine learning methods to predict experimental high-throughput screening data. , 2010, Combinatorial chemistry & high throughput screening.
[26] Yun He,et al. Learning from the Data: Mining of Large High-Throughput Screening Databases , 2006, J. Chem. Inf. Model..
[27] Peter Meier,et al. Key aspects of the Novartis compound collection enhancement project for the compilation of a comprehensive chemogenomics drug discovery screening collection. , 2005, Current topics in medicinal chemistry.
[28] Peter Ertl,et al. Mining for Bioactive Scaffolds with Scaffold Networks: Improved Compound Set Enrichment from Primary Screening Data , 2011, J. Chem. Inf. Model..
[29] Wolfgang Guba,et al. Development of a virtual screening method for identification of "frequent hitters" in compound libraries. , 2002, Journal of medicinal chemistry.
[30] A. Bender,et al. Modeling Promiscuity Based on in vitro Safety Pharmacology Profiling Data , 2007, ChemMedChem.