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Automated site-directed drug design: Searches of the Cambridge Structural Database for bond lengths in molecular fragments to be used for automated structure assembly

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In this paper a database of small frequently occurring molecular fragments is used for the determination of fragment bond lengths from the Cambridge Structural Database. A large number of bond types are described that have not been reported previously.

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References

  1. Chau, P.-L. and Dean, P.M., J. Comput.-Aided Mol. Design, 6 (1992) 385.

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  2. Allen, F.H., Kennard, O., Watson, D.G., Brammer, L., Orpen, A.G. and Taylor, R., J. Chem. Soc. Perkins Trans. II, (1987) S1.

  3. Chau, P.L. and Dean, P.M., J. Comput.-Aided Mol. Design, 6 (1992) 407.

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Authors and Affiliations

  1. Department of Pharmacology, University of Cambridge, Tennis Court Road, CB2 1QJ, Cambridge, U.K.

    P.-L. Chau & P. M. Dean

Authors
  1. P.-L. Chau
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  2. P. M. Dean
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Chau, PL., Dean, P.M. Automated site-directed drug design: Searches of the Cambridge Structural Database for bond lengths in molecular fragments to be used for automated structure assembly. J Computer-Aided Mol Des 6, 397–406 (1992). https://doi.org/10.1007/BF00125946

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  • DOI: https://doi.org/10.1007/BF00125946

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