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There are 47743 results for: content related to: Similarity-based data mining in files of two-dimensional chemical structures using fingerprint measures of molecular resemblance

  1. Similarity methods in chemoinformatics

    Annual Review of Information Science and Technology

    Volume 43, Issue 1, 2009, Pages: 1–117, Peter Willett

    Article first published online : 16 FEB 2011, DOI: 10.1002/aris.2009.1440430108

  2. Chemoinformatics: a history

    Wiley Interdisciplinary Reviews: Computational Molecular Science

    Volume 1, Issue 1, January/February 2011, Pages: 46–56, Peter Willett

    Article first published online : 21 JAN 2011, DOI: 10.1002/wcms.1

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    Bibliography

    Molecular Descriptors for Chemoinformatics: Volume I: Alphabetical Listing / Volume II: Appendices, References, Volume 41

    Roberto Todeschini, Viviana Consonni, Pages: 1–241, 2010

    Published Online : 12 FEB 2010, DOI: 10.1002/9783527628766.biblio

  4. Chemoinformatics applications of cluster analysis

    Wiley Interdisciplinary Reviews: Computational Molecular Science

    Volume 4, Issue 1, January/February 2014, Pages: 34–48, John David MacCuish and Norah Elizabeth MacCuish

    Article first published online : 20 MAY 2013, DOI: 10.1002/wcms.1152

  5. Algorithms for chemoinformatics

    Wiley Interdisciplinary Reviews: Computational Molecular Science

    Volume 1, Issue 5, September/October 2011, Pages: 716–726, Nathan Brown

    Article first published online : 14 APR 2011, DOI: 10.1002/wcms.42

  6. Chemoinformatics as a Theoretical Chemistry Discipline

    Molecular Informatics

    Volume 30, Issue 1, January 17, 2011, Pages: 20–32, Alexandre Varnek and Igor I. Baskin

    Article first published online : 24 JAN 2011, DOI: 10.1002/minf.201000100

  7. Data Mining Approaches for Compound Selection and Iterative Screening

    Pharmaceutical Data Mining: Approaches and Applications for Drug Discovery

    Martin Vogt, Jürgen Bajorath, Pages: 113–143, 2009

    Published Online : 1 DEC 2009, DOI: 10.1002/9780470567623.ch4

  8. Chemoinformatics and chemical genomics: potential utility of in silico methods

    Journal of Applied Toxicology

    Volume 32, Issue 11, November 2012, Pages: 880–889, Luis G. Valerio Jr and Supratim Choudhuri

    Article first published online : 10 AUG 2012, DOI: 10.1002/jat.2804

  9. Chemoinformatic Tools for Library Design and the Hit-to-Lead Process: A User's Perspective

    Chemoinformatics in Drug Discovery

    Robert Alan Goodnow, Paul Gillespie, Konrad Bleicher, Pages: 381–435, 2005

    Published Online : 19 MAY 2005, DOI: 10.1002/3527603743.ch15

  10. Introduction

    Chemoinformatics: A Textbook

    Johann Gasteiger, Thomas Engel, Pages: 1–13, 2004

    Published Online : 23 MAR 2004, DOI: 10.1002/3527601643.ch1

  11. Solved and Unsolved Problems of Chemoinformatics

    Molecular Informatics

    Volume 33, Issue 6-7, June 2014, Pages: 454–457, Johann Gasteiger

    Article first published online : 6 JUN 2014, DOI: 10.1002/minf.201400068

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    Machine learning methods in chemoinformatics

    Wiley Interdisciplinary Reviews: Computational Molecular Science

    Volume 4, Issue 5, September/October 2014, Pages: 468–481, John B. O. Mitchell

    Article first published online : 24 FEB 2014, DOI: 10.1002/wcms.1183

  13. Chemoinformatics Techniques for Processing Chemical Structure Databases

    Computer Applications in Pharmaceutical Research and Development

    Valerie J. Gillet, Peter Willett, Pages: 187–208, 2006

    Published Online : 5 JUN 2006, DOI: 10.1002/0470037237.ch8

  14. CHEMOINFORMATICS IN LEAD OPTIMIZATION

    Chemoinformatics for Drug Discovery

    Darren V. S. Green, Matthew Segall, Pages: 149–178, 2013

    Published Online : 15 NOV 2013, DOI: 10.1002/9781118742785.ch8

  15. MOLECULAR SIMILARITY ANALYSIS

    Chemoinformatics for Drug Discovery

    José L. Medina-Franco, Gerald M. Maggiora, Pages: 343–399, 2013

    Published Online : 15 NOV 2013, DOI: 10.1002/9781118742785.ch15

  16. USING CHEMOINFORMATICS TOOLS TO ANALYZE CHEMICAL ARRAYS IN LEAD OPTIMIZATION

    Chemoinformatics for Drug Discovery

    George Papadatos, Valerie J. Gillet, Christopher N. Luscombe, Iain M. McLay, Stephen D. Pickett, Peter Willett, Pages: 179–204, 2013

    Published Online : 15 NOV 2013, DOI: 10.1002/9781118742785.ch9

  17. A History of Chemoinformatics

    Handbook of Chemoinformatics: From Data to Knowledge in 4 Volumes

    Johann Gasteiger, Pages: 6–20, 2008

    Published Online : 5 MAY 2008, DOI: 10.1002/9783527618279.ch2

  18. Interrogating Novel Areas of Chemical Space for Drug Discovery using Chemoinformatics

    Drug Development Research

    Volume 73, Issue 7, November 2012, Pages: 430–438, José L. Medina-Franco

    Article first published online : 18 OCT 2012, DOI: 10.1002/ddr.21034

  19. The Calculation of Molecular Structural Similarity: Principles and Practice

    Molecular Informatics

    Volume 33, Issue 6-7, June 2014, Pages: 403–413, Peter Willett

    Article first published online : 29 APR 2014, DOI: 10.1002/minf.201400024

  20. Chemoinformatics and its Applications

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    General, Applied and Systems Toxicology

    Vetrivel Umashankar and Subramanian Gurunathan

    Published Online : 15 SEP 2011, DOI: 10.1002/9780470744307.gat222