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Keyword

Cambridge Structural Database

Description: A curated database of experimentally determined crystal structures of small-molecule compounds used in chemical and crystallographic research.
Wikidata ID: wiki/Q2166958
OpenAlex ID: keywords/cambridge-structural-database
The Cambridge Structural Database: a quarter of a million crystal structures and rising
2002 · Frank H. Allen · Acta Crystallographica Section B Structural Science · 10,309
The Cambridge Structural Database
2016 · Colin R. Groom, Ian J. Bruno, et al. · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 10,243
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Fluorine in Pharmaceuticals: Looking Beyond Intuition
2007 · Klaus Müller, Christoph Faeh, et al. · Science · 6,603
PRODRG: a tool for high-throughput crystallography of protein–ligand complexes
2004 · Alexander W. Schüttelkopf, Daan M. F. van Aalten · Acta Crystallographica Section D Biological Crystallography · 4,804
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New software for searching the Cambridge Structural Database and visualizing crystal structures
2002 · Ian J. Bruno, Jason C. Cole, et al. · Acta Crystallographica Section B Structural Science · 3,130
Crystal engineering : the design of organic solids
1989 · Gautam R. Desiraju, G. W. Parshall · Materials science monographs · 2,530
Accurate bond and angle parameters for X-ray protein structure refinement
1991 · R. A. Engh, R. Huber · Acta Crystallographica Section A Foundations of Crystallography · 2,489
Aromatic Rings in Chemical and Biological Recognition: Energetics and Structures
2011 · Laura M. Salonen, Manuel Ellermann, et al. · Angewandte Chemie International Edition · 1,541
The development of versions 3 and 4 of the Cambridge Structural Database System
1991 · Frank H. Allen, John E. Davies, et al. · Journal of Chemical Information and Computer Sciences · 1,308
The Cambridge Structural Database in Retrospect and Prospect
2014 · Colin R. Groom, Frank H. Allen · Angewandte Chemie International Edition · 1,124
Interpenetrating metal–organic and inorganic 3D networks: a computer-aided systematic investigation. Part I. Analysis of the Cambridge structural database
2004 · V. A. Blatov, L. Carlucci, et al. · CrystEngComm · 1,124
Development of a Cambridge Structural Database Subset: A Collection of Metal–Organic Frameworks for Past, Present, and Future
2017 · Peyman Z. Moghadam, Aurelia Li, et al. · Chemistry of Materials · 1,085
Retrieval of Crystallographically-Derived Molecular Geometry Information
2004 · Ian J. Bruno, Jason C. Cole, et al. · Journal of Chemical Information and Computer Sciences · 985
Halogen Bonds in Crystal Engineering: Like Hydrogen Bonds yet Different
2014 · Arijit Mukherjee, Srinu Tothadi, et al. · Accounts of Chemical Research · 940
Advances, Updates, and Analytics for the Computation-Ready, Experimental Metal–Organic Framework Database: CoRE MOF 2019
2019 · Yongchul G. Chung, Emmanuel Haldoupis, et al. · Journal of Chemical & Engineering Data · 860
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The computer program LUDI: A new method for the de novo design of enzyme inhibitors
1992 · Hans-Joachim B�hm · Journal of Computer-Aided Molecular Design · 835
The Nature and Geometry of Intermolecular Interactions between Halogens and Oxygen or Nitrogen
1996 · Jos P. M. Lommerse, Anthony J. Stone, et al. · Journal of the American Chemical Society · 806
Merck molecular force field. V. Extension of MMFF94 using experimental data, additional computational data, and empirical rules
1996 · Thomas A. Halgren · Journal of Computational Chemistry · 773
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How good is fluorine as a hydrogen bond acceptor?
1996 · Judith A.K. Howard, Vanessa J. Hoy, et al. · Tetrahedron · 737
Underlying nets in three-periodic coordination polymers: topology, taxonomy and prediction from a computer-aided analysis of the Cambridge Structural Database
2011 · E. V. Alexandrov, V. A. Blatov, et al. · CrystEngComm · 709
Facts and fictions about polymorphism
2015 · Aurora J. Cruz-Cabeza, Susan M. Reutzel-Edens, et al. · Chemical Society Reviews · 679
Acid–base crystalline complexes and the pKa rule
2012 · Aurora J. Cruz-Cabeza · CrystEngComm · 674
Water clusters in organic molecular crystals
2002 · Lourdes Infantes, Sam Motherwell · CrystEngComm · 612
MAB, a generally applicable molecular force field for structure modelling in medicinal chemistry
1995 · Paul R. Gerber, Klaus M�ller · Journal of Computer-Aided Molecular Design · 593
A revision of van der Waals atomic radii for molecular crystals: N, O, F, S, Cl, Se, Br and I bonded to carbon
1985 · S. C. Nyburg, C. H. Faerman · Acta Crystallographica Section B Structural Science · 519
Works count: 1,592
Citation count: 97,910
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