Structures Sheffield University

Downs, G.M. Gillet, V.J. Holliday, J. Lynch, M.F. The Sheffield University Generic Chemical Structures Project - a Review of Progress and of Outstanding Problems. In these Proceedings. 

THE SHEFFIELD UNIVERSITY GENERIC CHEMICAL STRUCTURES PROJECT - A REVIEW OF PROGRESS AND OF OUTSTANDING PROBLEMS... 

Welford, S.M. Ash, S. Barnard, J.M. Carruthers, L. Lynch, M.F. Scholley, von A. The Sheffield University Generic Chemical Structures Research Project. In Computer Handling of Generic Chemical Structures, Barnard, J.M. Ed. Gower Aldershot, 1984. 

France, J. 1997. Bolted connections between open section beams and box columns, Ph.D. thesis. UK Department of Civil and Structural Engineering, University of Sheffield. 

To overcome these problems, the Extended Set of Smallest Rings (ESSR) was developed as part, of the research on the (Generic Structures Project at Sheffield University. The ESSR includes all simple-faces plus all primary and secondary cut-faces, as defined here it does not include regions or non-regions that are not simple-cycles, or non-regions that are classified as tertiary cut-faces. An algorithm to find the ESSR has been described. ... 

The concept of molecular similarity calculation within chemical information systems was pioneered at Sheffield University and first introduced into operational systems at Pfizer Central Research (UK) " and Lederle . It is now well-established within chemical information systems, both commercially available and developed in-house, as described in other papers in this volume. It is a powerful concept, which may be applied to both 2-D and 3-D structural representations, and to chemical reaction information, and used to support similarity searching and browsing, and file clustering and partitioning. 

Two chapters on generic structures follow, one from the team at Sheffield University and one from IDC, representing the papers given by Valerie Gillet and Gunter Stiegler in Noordwijkerhout. 

Department of Civil and Structural Engineering, University of Sheffield,... 

Lambert,P Predicting and achieving serviceability, Proceedings of International seminar Management of Concrete Structures for Long Term Serviceability University of Sheffield, 1997... 

He first graduated, in 1928, at the University of Sheffield, where he became a lecturer in chemistry, with research interests chiefly in the electrochemical field. In 1946 he moved to J. M. Robertson s laboratory at Glasgow, and his interests then began to turn towards crystal-structure analysis by x-rays and neutrons. He has applied Robertson s methods mainly to the study of hydrogen-bonded crystals and his preoccupation with this topic continues. 

In the mid 1980s, J. Fraser Stoddart and Franz Kohnke, then from the University of Sheffield, UK, developed another rather less studied curved building block 6.5, which is derived from the reaction of 1,2,4,5-tetrabromobenzene with furan (Scheme 6.4). Kohnkene (6.39), which was named after its creator, is a very rigid structure, and possesses a small elliptical cavity that is unsuitable for inclusion of molecular guest species. However, the molecule may be deoxygenated to give dideoxykohnkene... 

John M. Barnard, Computer Handling of Generic Chemical Structures, Proceedings of a conference at the University of Sheffield, Gower, Aldershot, UK, 1984. 

Lobanov, V. and Agrafiotis, D.K. A rational approach for combinatorial drug design. Paper presented at the Chemical Structure Association/Molecular Graphics and Modelling Conference on Computational Approaches to the Design and Analysis ofCombinatorial Libraries , University of Sheffield, 14-16 April 1998. 

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