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nicklynch's library [55 articles]

Recent papers added to nicklynch's library.
  • Building a scientific knowledge web portal: The NanoPort experience
    Decision Support Systems, Vol. 42, No. 2. (November 2006), pp. 1216-1238.
    by Michael Chau, Zan Huang, Jialun Qin, Yilu Zhou, Hsinchun Chen
    posted to integration informatics by nicklynch on 2008-06-08 21:20:34 as **
  • The influence of drug-like concepts on decision-making in medicinal chemistry
    Nature Reviews Drug Discovery, Vol. 6, No. 11., pp. 881-890.
    by Paul D Leeson, Brian Springthorpe
    posted to qsar chemistry by nicklynch on 2008-06-01 13:52:56 as **
  • India Takes an Open Source Approach to Drug Discovery
    Cell, Vol. 133, No. 2. (18 April 2008), pp. 201-203.
    by Seema Singh
    posted to opensource drug discovery by nicklynch on 2008-05-28 21:53:26 as **
  • Anatomy of data integration.
    J Biomed Inform, Vol. 40, No. 3. (June 2007), pp. 252-269.
    by O Brazhnik, JF Jones
    posted to integration informatics clinical by nicklynch on 2008-05-11 08:49:30 as ** along with 3 people jyuh jandot Simplicity
  • Biological data integration using Semantic Web technologies.
    Biochimie (21 February 2008)
    by C Pasquier
    posted to web semantic integration informatics by nicklynch on 2008-05-03 18:07:01 as ** along with 2 people dullhunk jyuh
  • Open Source software in medical informatics--why, how and what
    International Journal of Medical Informatics, Vol. 69, No. 2-3. (March 2003), pp. 175-184.
    by Clement J Mcdonald, Gunther Schadow, Michael Barnes, Paul Dexter, Marc J Overhage, Burke Mamlin, Michael J Mccoy
    posted to opensource by nicklynch on 2008-05-02 16:30:01 as ** along with 3 people and 4 groups ashko cam_webb jago Software-Architecture Global_health_enterprise_architecture Knowledge_Economy_Reform Global_patent_pools
  • Next Generation Pharmaceutical Europe Article: Healthcare systems for the 21st century
    posted to pharma business by nicklynch on 2008-05-01 15:37:07 as **
  • The role of users in innovation in the pharmaceutical industry
    Drug Discovery Today, Vol. 13, No. 7-8. (April 2008), pp. 353-359.
    by Ruud E Smits, Wouter P Boon
    posted to pharmaceutical by nicklynch on 2008-04-27 22:21:54 as **
  • The Design of Discovery Net: Towards Open Grid Services for Knowledge Discovery
    International Journal of High Performance Computing Applications, Vol. 17, No. 3. (1 August 2003), pp. 297-315.
    by Salman Alsairafi, Filippia-Sofia Emmanouil, Moustafa Ghanem, Nikolaos Giannadakis, Yike Guo, Dimitrios Kalaitzopoulos, Michelle Osmond, Anthony Rowe, Jameel Syed, Patrick Wendel
    posted to workflow informatics grid by nicklynch on 2008-04-27 19:56:47 as **
  • Taverna: a tool for the composition and enactment of bioinformatics workflows.
    Bioinformatics, Vol. 20, No. 17. (22 November 2004), pp. 3045-3054.
    by T Oinn, M Addis, J Ferris, D Marvin, M Senger, M Greenwood, T Carver, K Glover, MR Pocock, A Wipat, P Li
    posted to workflow semantic informatics by nicklynch on 2008-04-27 19:42:50 as ** along with 9 people and 1 group tharris alanrw irenas jyuh moborg wnpx dullhunk fisherp marpin dbk-lab
  • A Collaborative Informatics Infrastructure for Multi-Scale Science
    Cluster Computing, Vol. 8, No. 4. (20 October 2005), pp. 243-253.
    by James Myers, Thomas Allison, Sandra Bittner, Brett Didier, Michael Frenklach, William Green, Yen-Ling Ho, John Hewson, Wendy Koegler, Carina Lansing, David Leahy, Michael Lee, Renata Mccoy, Michael Minkoff, Sandeep Nijsure, Gregor Laszewski, David Montoya, Luwi Oluwole, Carmen Pancerella, Reinhardt Pinzon, William Pitz, Larry Rahn, Branko Ruscic, Karen Schuchardt, Eric Stephan, A Wagner, Theresa Windus, Christine Yang
    posted to informatics grid by nicklynch on 2008-04-27 19:41:18 as ** along with 2 people and 3 groups jmuhlich dagmar SorgerLab dIEMoSIRIS compneur
  • Web Service Infrastructure for Chemoinformatics
    Journal of Chemical Information and Modeling, Vol. 47, pp. 1303-1307.
    by Xiao Dong, Kevin E Gilbert, Rajarshi Guha, Randy Heiland, Jungkee Kim, Marlon E Pierce, Geoffrey C Fox, David J Wild
    posted to webservice chemistry by nicklynch on 2008-04-27 18:45:17 as **
  • On agents and grids: Creating the fabric for a new generation of distributed intelligent systems
    Web Semantics: Science, Services and Agents on the World Wide Web, Vol. 4, No. 2. (June 2006), pp. 116-123.
    by Yolanda Gil
    posted to systems semantic informatics grid by nicklynch on 2008-04-27 15:01:52 as ** along with 1 person jiangbo
  • Semantic Grid--The convergence of technologies
    Web Semantics: Science, Services and Agents on the World Wide Web, Vol. 4, No. 2. (June 2006), pp. 82-83.
    by David De Roure, York Sure
    posted to semantic grid by nicklynch on 2008-04-27 14:24:14 as ** along with 1 person alanrw
  • The extended pharmaceutical enterprise
    Drug Discovery Today, Vol. 8, No. 6. (15 March 2003), pp. 267-274.
    by David Cavalla
    posted to pharmaceutical by nicklynch on 2008-04-21 09:22:47 as **
  • Helping science to succeed: improving processes in R&D
    Drug Discovery Today, Vol. 13, No. 5-6. (March 2008), pp. 227-233.
    by Andreas Sewing, Toby Winchester, Pauline Carnell, David Hampton, Wilma Keighley
    posted to lean process by nicklynch on 2008-04-21 09:21:26 as **
  • Flexible Web Service Infrastructure for the Development and Deployment of Predictive Models
    posted to chemistry informatics qsar by nicklynch on 2008-03-16 22:26:15 as **
  • Computer-aided drug discovery and development (CADDD): In silico-chemico-biological approach
    Chemico-Biological Interactions, Vol. 171, No. 2. (30 January 2008), pp. 165-176.
    by IM Kapetanovic
    posted to chemistry compchem by nicklynch on 2008-02-07 22:21:45 as **
  • Can we estimate the accuracy of ADME-Tox predictions?
    Drug Discovery Today, Vol. 11, No. 15-16. (August 2006), pp. 700-707.
    by Igor V Tetko, Pierre Bruneau, Hans-Werner Mewes, Douglas C Rohrer, Gennadiy I Poda
    posted to adme chemistry prediction by nicklynch on 2008-02-07 22:17:12 as **
  • Representation and use of chemistry in the global electronic age
    Org. Biomol. Chem, Vol. 2 (2004), pp. 3192-3203.
    by Peter Murray-Rusta, Henry S Rzepab, Simon, Yong Zhanga
    posted to chemistry informatics semantic web by nicklynch on 2008-02-07 22:14:32 as **
  • Computing chemistry on the web
    Drug Discovery Today, Vol. 10, No. 22. (15 November 2005), pp. 1497-1500.
    by Igor V Tetko
    posted to chemistry informatics web by nicklynch on 2008-02-07 22:01:16 as **
  • Optimizing the use of open-source software applications in drug discovery
    Drug Discovery Today, Vol. 11, No. 3-4. (February 2006), pp. 127-132.
    by Werner J Geldenhuys, Kevin E Gaasch, Mark Watson, David D Allen, Cornelis J Van der Schyf
    posted to chemistry informatics web by nicklynch on 2008-02-07 21:59:53 as ** along with 3 people operon ramensky junehlee
  • Strategies to support drug discovery through integration of systems and data.
    Drug Discov Today, Vol. 12, No. 15-16. (August 2007), pp. 634-639.
    by CL Waller, A Shah, M Nolte
    posted to informatics integration by nicklynch on 2007-11-18 15:42:48 as ** along with 1 person jyuh
  • High-throughput electronic biology: mining information for drug discovery
    Nature Reviews Drug Discovery, Vol. 6, No. 3., pp. 220-230.
    by William Loging, Lee Harland, Bryn Williams-Jones
    posted to biology informatics systems by nicklynch on 2007-03-15 11:55:58 as ** along with 3 people Yanno jyuh jfr
  • Data reduction and representation in drug discovery
    Drug Discovery Today, Vol. 12, No. 1-2. (January 2007), pp. 45-53.
    by Trevor J Howe, Guy Mahieu, Patrick Marichal, Tom Tabruyn, Pieter Vugts
    posted to informatics by nicklynch on 2007-03-14 23:21:45 as **
  • Bioclipse: An open source workbench for chemo- and bioinformatics
    BMC Bioinformatics, Vol. 8, No. 1. (2007)
    by Ola Spjuth, Tobias Helmus, Egon Willighagen, Stefan Kuhn, Martin Eklund, Johannes Wagener, Peter M Rust, Christoph Steinbeck, Jarl Wikberg
    posted to informatics by nicklynch on 2007-03-11 10:31:32 as ** along with 9 people and 3 groups alanrw jyuh eweaver moborg dullhunk kehan fisherp egonw sci91078 biodiversity_conservation Bioinformatics GrassBase
  • The impact of Life Science Identifier on informatics data
    Drug Discovery Today, Vol. 10, No. 22. (15 November 2005), pp. 1566-1572.
    by Sean Martin, Moses M Hohman, Ted Liefeld
    posted to lsid by nicklynch on 2007-01-13 23:50:58 as ** along with 1 person moborg
  • A Bioavailability Score
    J. Med. Chem., Vol. 48, No. 9. (5 May 2005), pp. 3164-3170.
    by YC Martin
    posted to prediction by nicklynch on 2007-01-07 12:34:00 as **
  • Web-based cheminformatics tools deployed via corporate Intranets
    Drug Discovery Today: BIOSILICO, Vol. 2, No. 5. (September 2004), pp. 201-207.
    by Peter Ertl, Paul Selzer, Jorg Muhlbacher
    posted to informatics by nicklynch on 2007-01-02 20:47:06 as **
  • Quest for the Rings. In Silico Exploration of Ring Universe To Identify Novel Bioactive Heteroaromatic Scaffolds
    posted to no-tag by nicklynch on 2007-01-02 20:42:15 as **
  • ADMET IN SILICO MODELLING: TOWARDS PREDICTION PARADISE?
    Nat Rev Drug Discov, Vol. 2, No. 3. (March 2003), pp. 192-204.
    by Han van de Waterbeemd, Eric Gifford
    posted to no-tag by nicklynch on 2007-01-01 17:56:50 as **
  • Chemogenomics - pharmacology with genomics tools
    TARGETS, Vol. 1, No. 2. (1 August 2002), pp. 59-65.
    by Leslie J Browne, Michael L Furness, George Natsoulis, Cecelia Pearson, Kurt Jarnagin
    posted to no-tag by nicklynch on 2007-01-01 17:54:41 as **
  • Prediction methods and databases within chemoinformatics: emphasis on drugs and drug candidates
    Bioinformatics, Vol. 21, No. 10. (15 May 2005), pp. 2145-2160.
    by Svava O Jonsdottir, Flemming S Jorgensen, Soren Brunak
    posted to no-tag by nicklynch on 2007-01-01 17:53:00 as ** along with 2 people and 1 group anita insilico structure-bii
  • Data Analysis of High-Throughput Screening Results: Application of Multidomain Clustering to the NCI Anti-HIV Data Set
    posted to no-tag by nicklynch on 2006-12-30 21:55:50 as **
  • Is There a Difference between Leads and Drugs? A Historical Perspective
    posted to no-tag by nicklynch on 2006-12-30 20:03:15 as **
  • Integration of Structure-Activity Relationship and Artificial Intelligence Systems To Improve in Silico Prediction of Ames Test Mutagenicity
    posted to no-tag by nicklynch on 2006-12-30 19:59:07 as **
  • Navigator: Tools for informal structure-activity relationship discovery
    Journal of Molecular Graphics, Vol. 13, No. 4. (August 1995), pp. 242-249.
    by David Chapman, Nomi Harris, John Park, Jr Critchlow
    posted to sar by nicklynch on 2006-12-30 19:50:55 as **
  • Virtual Computational Chemistry Laboratory - Design and Description
    Journal of Computer-Aided Molecular Design, Vol. 19, No. 6. (June 2005), pp. 453-463.
    by Igor Tetko, Johann Gasteiger, Roberto Todeschini, Andrea Mauri, David Livingstone, Peter Ertl, Vladimir Palyulin, Eugene Radchenko, Nikolay Zefirov, Alexander Makarenko, Vsevolod Tanchuk, Volodymyr Prokopenko
    posted to no-tag by nicklynch on 2006-12-30 19:44:39 as ** along with 1 person apostola
  • Enhancement of the chemical semantic web through the use of InChI identifiers
    by H Rzepa
    posted to no-tag by nicklynch on 2006-12-30 19:36:55 as **
  • Open-source software: not quite endsville.
    Drug Discov Today, Vol. 10, No. 3. (1 February 2005), pp. 219-222.
    by MT Stahl
    posted to no-tag by nicklynch on 2006-12-30 19:32:33 as ** along with 1 person nachtalp
  • Web services in the life sciences
    Drug Discovery Today, Vol. 10, No. 12. (15 June 2005), pp. 865-871.
    by Vasa Curcin, Moustafa Ghanem, Yike Guo
    posted to no-tag by nicklynch on 2006-12-30 19:21:33 as ** along with 7 people and 2 groups dullhunk LeightonP rdhyee yas moborg fisherp Barend Blog_and_Wiki_Research T_lab
  • Visualization and analysis of microarray and gene ontology data with treemaps
    BMC Bioinformatics, Vol. 5, No. 1. (2004)
    by Eric Baehrecke, Niem Dang, Ketan Babaria, Ben Shneiderman
    posted to no-tag by nicklynch on 2006-12-30 16:36:29 as ** along with 1 person macavity1g
  • VisualiSAR: a Web-based application for clustering, structure browsing, and structure-activity relationship study
    Journal of Molecular Graphics and Modelling, Vol. 17, No. 2. (April 1999), pp. 85-89.
    by David J Wild, John C Blankley
    posted to clustering sar by nicklynch on 2006-12-30 16:28:45 as **
  • Molecular Property eXplorer: A Novel Approach to Visualizing SAR Using Tree-Maps and Heatmaps
    posted to no-tag by nicklynch on 2006-12-30 11:20:56 as **
  • Open-access chemistry databases evolving slowly but not surely
    Nature Reviews Drug Discovery, Vol. 5, No. 9., pp. 707-708.
    by Monya Baker
    posted to no-tag by nicklynch on 2006-12-29 17:24:38 as **
  • Towards the Chemical Semantic Web. An introduction to RSS.
    by H Rzepa, P Murray-Rust
    posted to no-tag by nicklynch on 2006-12-26 14:53:45 as **
  • The Blue Obelisk-interoperability in chemical informatics.
    J Chem Inf Model, Vol. 46, No. 3. (n 2006), pp. 991-998.
    by R Guha, MT Howard, GR Hutchison, P Murray-Rust, H Rzepa, C Steinbeck, J Wegner, EL Willighagen
    posted to opensource informatics by nicklynch on 2006-12-24 19:10:38 as ** along with 3 people dullhunk papatonyhill egonw
  • ChemSem: an extensible and scalable RSS-based seminar alerting system for scientific collaboration.
    J Chem Inf Model, Vol. 46, No. 3. (n 2006), pp. 985-990.
    by HS Rzepa, A Wheat, MJ Williamson
    posted to no-tag by nicklynch on 2006-12-24 19:09:11 as ** along with 1 person pmb
  • Towards a semantic web for chemistry in lifescience
    by Peter Murray-Rust, Henry S Rzepa
    posted to chemistry semantic web by nicklynch on 2006-12-24 19:07:26 as **
  • Bringing Chemical Data onto the Semantic Web
    J. Chem. Inf. Model., Vol. 46, No. 3. (22 May 2006), pp. 939-952.
    by KR Taylor, RJ Gledhill, JW Essex, JG Frey, SW Harris, DC Deroure
    posted to chemistry semantic web by nicklynch on 2006-12-24 18:39:57 as ** along with 2 people dullhunk alanrw
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