Automated site-directed drug design: Searches of the Cambridge Structural Database for bond lengths in molecular fragments to be used for automated structure assembly
Authors:
- 1 August 1992
- journal article
- Published by Springer Nature in Journal of Computer-Aided Molecular Design
- Vol. 6 (4) , 397-406
Abstract
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.Keywords
This publication has 3 references indexed in Scilit:
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- Automated site-directed drug design: The generation of a basic set of fragments to be used for automated structure assemblyJournal of Computer-Aided Molecular Design, 1992
- Tables of bond lengths determined by X-ray and neutron diffraction. Part 1. Bond lengths in organic compoundsJournal of the Chemical Society, Perkin Transactions 2, 1987