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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| Authors: | P.-L. Chau P. M. Dean |
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| Affiliation: | (1) Department of Pharmacology, University of Cambridge, Tennis Court Road, CB2 1QJ Cambridge, U.K. |
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| Abstract: | Summary 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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| Keywords: | Drug design Molecular fragments Bond lengths Cambridge Structural Database |
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