Chemical Structures 2: The International Language of Chemistry Proceedings of The Second International Conference, Leeuwenhorst Congress Center, Noordwijkerhout, The Netherlands, 3rd June to 7th June 1990Wendy Warr This book constitutes the Proceedings of the second conference in the series 'Chemical Structures: The International Language of Chemistry' which was held at Leeuwenhorst Congress Centre, Noordwijkerhout, in the Netherlands, between June 3 and June 7, 1990. The conference was jointly sponsored by the Chemical Structure Association; the American Chemical Society Division of Chemical Information; the Royal Netherlands Chemical Society; and the Chemical Infor mation Groups of the Royal Society of Chemistry and the German Chemical Society. The purpose of the conference was to bring together experts and an international professional audience to discuss and to further basic and applied research and development in the processing, storage, retrieval, and use of chemical structures; to focus international attention on the importance of chemical information and the vital research being carried out in chemical information science; and to foster co operation among major chemical information organisations throughout the world. Subjects covered included structure-property correlations, spectral database systems, chemical nomenclature, generic structures, stereochemistry, substructure search systems, connection table formats, ring perception, information integration, three-dimensional substructure searching, similarity searching, and systems for handling chemical reaction information. All the papers were peer-reviewed or given by invited speakers. Many internationally recognised teams in the field of chemical structure handling are represented in the chapters of this book. |
Contents
Keynote Address | 1 |
A Personal Computer Program System for NMR Database Construction | 15 |
BBase A StructureOriented Numerical Factual Database | 33 |
Copyright | |
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Chemical Structures 2: The International Language of Chemistry Proceedings ... Wendy A. Warr No preview available - 2011 |
Common terms and phrases
acid algorithm analysis application assigned atoms Beilstein Berlin Heidelberg 1993 bond calculated carbon atoms CAS Registry Chem Chemical Abstracts Service chemical database Chemical Structures Chemistry chiral clustering co-ordinates component compounds Comput Computer Storage configuration connection table formats contains cut-faces data-set defined described descriptors developed display distance distribution enantiomers example fragment GENSAL graphical GREMAS groups H OH hits identified implementation implicit schemes input integration interface IUPAC match matrix method MODSMI molecular molecules motif MS-DOS nearest neighbour nodes nomenclature ORAC output partial structures pattern pharmacophore polymer processing protein Protein Data Bank query structure ranking reaction database reduced graph registry number representation represented retrieval ring systems ROSDAL screens secondary structure sequence shown in Figure similarity search simple-faces specific stereocentres stereochemical stereochemistry storage string structure search synthesis Tanimoto coefficient tautomer values W. A. Warr Willett workstation