Substructure searching of computer-readable CAS 9CI chemical nomenclature files.
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Substructure searching of computer-readable CAS 9CI chemical nomenclature files. by Chemical Abstracts Service.

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Published by Ohio State University in Columbus .
Written in English


Book details:

The Physical Object
Pagination(243p.)in various pagings :
Number of Pages243
ID Numbers
Open LibraryOL20929724M
ISBN 100841202044

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Substructure searching of computer-readable CAS 9CI chemical nomenclature files. Based on nomenclature in the ninth collective index to Chemical Abstracts, [] American Chemical ?q="American+Chemical+Society.+Chemical.   Chemical Abstracts Stereochemical Nomenclature of Organic Substances in the Ninth Collective Period (). Journal of Chemical Information and Computer Sciences , 15 (2), DOI: /cia W. Fisanick, L. D. Mitchell, J. A. Scott, and G. G. Vander Stouw. Substructure Searching of Computer-Readable Chemical Abstracts   Strategic Considerations in the Design of a Screening System for Substructure Searches of Chemical Structure The Chemical Abstracts (CA) index names are very useful for finding various information through CA. We designed a structure naming algorithm whose core is the unic Bridge-E_Block approach. This approach dissects the structure into E_Blocks and converts it into E_Block Bridge Tree (EBBT) in which each node corresponds to a namable structural

The increasing availability of computer-readable files of chemical nomenclature and of programs for text searching has led to the development of methods for performing substructure searches in Chemical Structures 2 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 CAS soon produced other new printed and computer-readable information services: Chemical-Biological Activities (CBAC) in and Polymer Science & Technology (POST) in In the days before online searching, these services were produced on magnetic tape and could be searched in batch The database currently holds information on more t compounds references. As well as providing a reference list of EINECS Numbers List of Chemicals & the CAS Numbers List of Chemicals, ChemSynthesis also acts as a directory to chemical structure databases (such as PubChem, Organoboron Database, ChemSpider, Emolecules etc.)?letter=All.

CHEMICAL REPRESENTATION FOR CHEMINFORMATICS. Most often, data and information about chemical compounds is either directly about molecular structure (for example, a 2D structural formula, or 3D atomic coordinates for a particular conformation of a compound), or is tied to a molecular structure (for example, physical properties of a compound, which you identify by its structural formula). Computerised chemical substructure searching began at Shell Research Sitting-bourne during the s with a file of chemical structures coded in string form using the IUPAC (Dyson) chemical ://   MolData ORGANIC CHEMISTRY. The following are resources in Organic Chemistry and Medicinal Chemistry: 1. General Chemical Information. o CambridgeSoft maintains ChemFinder, a remarkably efficient Internet search engine, which searches for information on specific compounds by name, formula, CAS registry number, and molecular of the hits are related to toxic ~wsteinmetz/ CAS Surveys Its First Years. CAS provided tapes of its computer-readable services to third-party vendors in the fledging online search industry. To accomplish the same result through a