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There are 41115 results for: content related to: Statistical and Numerical Methods of Data Analysis

  1. Applications of the Cambridge Structural Database in organic chemistry and crystal chemistry

    Acta Crystallographica Section B

    Volume 58, Issue 3-1, June 2002, Pages: 407–422, Frank H. Allen and W. D. Samuel Motherwell

    DOI: 10.1107/S0108768102004895

  2. The Development, Status and Scientific Impact of Crystallographic Databases

    Acta Crystallographica Section A

    Volume 54, Issue 6-1, November 1998, Pages: 758–771, F. H. Allen

    DOI: 10.1107/S0108767398010563

  3. Life-science applications of the Cambridge Structural Database

    Acta Crystallographica Section D

    Volume 58, Issue 6-1, June 2002, Pages: 879–888, Robin Taylor

    DOI: 10.1107/S090744490200358X

  4. Automated conformational analysis from crystallographic data. 6. Principal-component analysis for n-membered carbocyclic rings (n = 4, 5, 6): symmetry considerations and correlations with ring-puckering parameters

    Acta Crystallographica Section B

    Volume 47, Issue 3, June 1991, Pages: 412–424, F. H. Allen, M. J. Doyle and T. P. E. Auf der Heyde

    DOI: 10.1107/S0108768190014161

  5. Symmetry-modified conformational mapping and classification of the medium rings from crystallographic data. I. Cycloheptane

    Acta Crystallographica Section B

    Volume 49, Issue 5, October 1993, Pages: 910–928, F. H. Allen, J. A. K. Howard and N. A. Pitchford

    DOI: 10.1107/S0108768193004896

  6. Structure Correlation and Ligand/Receptor Interactions

    Structure Correlation, Volume 1

    Hans-Beat Bürgi, Jack D. Dunitz, Pages: 543–603, 2008

    Published Online : 10 JAN 2008, DOI: 10.1002/9783527616091.ch13

  7. Organic Addition and Elimination Reactions; Transformation Paths of Carbonyl Derivatives

    Structure Correlation, Volume 1

    Hans-Beat Bürgi, Jack D. Dunitz, Pages: 205–302, 2008

    Published Online : 10 JAN 2008, DOI: 10.1002/9783527616091.ch06

  8. Automated conformational analysis from crystallographic data. 1. A symmetry-modified single-linkage clustering algorithm for three-dimensional pattern recognition

    Acta Crystallographica Section B

    Volume 47, Issue 1, February 1991, Pages: 29–40, F. H. Allen, M. J. Doyle and R. Taylor

    DOI: 10.1107/S0108768190010357

  9. Intermolecular interactions around functional groups in crystals: data for modeling the binding of drugs to biological macromolecules

    Acta Crystallographica Section D

    Volume 51, Issue 4, July 1995, Pages: 418–427, J. P. Glusker

    DOI: 10.1107/S0907444995003313

  10. You have free access to this content
    Appendix A: Typical Interatomic Distances in Organic Compounds and Organometallic Compounds and Coordination Complexes of the d- and f-block metals

    Structure Correlation, Volume 1

    A . G. Orpen, L. Brammer, F. H. Allen, O. Kennard, D. G. Watson, R. Taylor, Pages: 752–858, 2008

    Published Online : 10 JAN 2008, DOI: 10.1002/9783527616091.app1

  11. Symmetry-modified conformational mapping and classification of the medium rings from crystallographic data. II. exo-unsaturated and heterocyclic seven-membered rings

    Acta Crystallographica Section B

    Volume 50, Issue 3, June 1994, Pages: 382–395, F. H. Allen, J. A. K. Howard, N. A. Pitchford and J. G. Vinter

    DOI: 10.1107/S0108768194000911

  12. Computer retrieval and analysis of molecular geometry. I. General principles and methods

    Acta Crystallographica Section B

    Volume 34, Issue 8, August 1978, Pages: 2518–2526, P. Murray-Rust and S. Motherwell

    DOI: 10.1107/S0567740878008535

  13. Crystallographic Databases: Search and Retrieval of Information from the Cambridge Structural Database

    Structure Correlation, Volume 1

    Frank H. Allen, Olga Kennard, David G. Watson, Pages: 71–110, 2008

    Published Online : 10 JAN 2008, DOI: 10.1002/9783527616091.ch03

  14. Small-molecule crystal structures as a structural basis for drug design

    Acta Crystallographica Section D

    Volume 51, Issue 4, July 1995, Pages: 407–417, C. Pascard

    DOI: 10.1107/S0907444994014526

  15. Use of the estimated errors of the data in structure-correlation studies

    Acta Crystallographica Section B

    Volume 51, Issue 3, June 1995, Pages: 314–328, O. Carugo

    DOI: 10.1107/S0108768194011249

  16. Symmetry-modified conformational mapping and classification of the medium rings from crystallographic data. III. endo-unsaturated seven-membered rings

    Acta Crystallographica Section B

    Volume 50, Issue 3, June 1994, Pages: 395–404, F. H. Allen, S. E. Garner, J. A. K. Howard and N. A. Pitchford

    DOI: 10.1107/S010876819400090X

  17. Stereochemical and conformational classification of the hexopyranose sugars using numerical clustering methods

    Acta Crystallographica Section B

    Volume 49, Issue 6, December 1993, Pages: 1021–1031, F. H. Allen and S. Fortier

    DOI: 10.1107/S0108768193008353

  18. Use of crystallographic data in searching for isosteric replacements: Composite crystal-field environments of nitro and carbonyl groups

    Pesticide Science

    Volume 29, Issue 2, 1990, Pages: 197–213, Robin Taylor, Anne Mullaley and Graham W. Mullier

    Version of Record online : 8 MAY 2006, DOI: 10.1002/ps.2780290209

  19. You have full text access to this OnlineOpen article
    Cheminformatics and the Semantic Web: adding value with linked data and enhanced provenance

    Wiley Interdisciplinary Reviews: Computational Molecular Science

    Volume 3, Issue 5, September/October 2013, Pages: 465–481, Jeremy G. Frey and Colin L. Bird

    Version of Record online : 8 JAN 2013, DOI: 10.1002/wcms.1127

  20. Representation of chemical structures

    Wiley Interdisciplinary Reviews: Computational Molecular Science

    Volume 1, Issue 4, July/August 2011, Pages: 557–579, Wendy A. Warr

    Version of Record online : 30 MAR 2011, DOI: 10.1002/wcms.36