Chemical Abstracts Service Organization

Naming and Indexing of Chemical Substances for Chemical Abstracts, Chemical Abstracts Service, American Chemical Society, Washington, D.C., 1992. Nomenclature of Organic Chemist, lUPAC, Pergamon Press, New York, 1979. 

With more than 30 million organic compounds now known and thousands more being created daily, naming them all is a real problem. Part of the problem is due to the sheer complexity of organic structures, but part is also due to the fact that chemical names have more than one purpose. For Chemical Abstracts Service (CAS), which catalogs and indexes the worldwide chemical literature, each compound must have only one correct name. It would be chaos if half the entries for CH3B1 were indexed under "M" for methyl bromide and half under "B" for bromomethane. Furthermore, a CAS name must be strictly systematic so that it can be assigned and interpreted by computers common names are not allowed. 

In this book we use the Nomenclature of Organic Chemistry of the International Union of Pure and Applied Chemistry, 1979 Edition ( Blue book , IUPAC, 1979), the Revised Nomenclature for Radicals, Ions, Radical Ions, and Related Species (IUPAC, 1993), and additional rules applied by the Chemical Abstracts Service for the 1987-1991 Index Guide Chemical Abstracts, 1992). 

This chapter includes four indices the Alphabetical index, the Chemical Abstract Service (CAS) numbers index, the International Classification of Diseases, 10th Revision (ICD-10) numbers index, and the Organization for the Prohibition of Chemical Weapons key (OPCW) numbers index. OPCW numbers are found in the "Handbook on Chemicals, version 2002," Appendix 2 in Declaration Handbook 2002 for the Convention on the Prohibition of the Development, Production, Stockpiling, and Use of Chemical Weapons and on their Destruction. OPCW numbers were developed to provide an easy method for tracking chemical warfare agents and precursors if CAS numbers were not available. 

The major purpose of the title is to inform readers about the specific content of the work, ideally identifying both what was studied and how it was studied. The major purpose of an abstract is to summarize, in one clear and concise paragraph, the purpose, experimental approach, principal results, and major conclusions of the work. In most journals, the abstract includes only text in some journals (e.g.. The Journal of Organic Chemistry and Organic Letters), the abstract also includes a graphic. Importantly, both the abstract and title must be able to stand on their own. This is because these two sections (and only these two sections) are reprinted by abstracting services (e.g.. Chemical Abstracts Service, or CAS) in separate documents for literature searches. Also, many chemists read titles and abstracts to obtain a quick overview of the journal s contents but do not read the articles in full. 

The principal advances in the systematization of organic nomenclature have come from the International Union of Pure and Applied Chemistry (IUPAC) Commission on the Nomenclature of Organic Chemistry, and from the Chemical Abstracts Service. The IUPAC Definitive Rules for Hydrocarbons and Heterocyclic Systems (1957)4 and for Characteristic Groups (1965)5 have been widely accepted by the chemical community, and, in their latest revised form,6 constitute the standard reference work. These rules are closely related to those developed in parallel by Chemical Abstracts for indexing purposes, and it is fortunate that, as a result of close cooperation between the two bodies, there are few areas of disagreement. 

Handbook of Data on Organic Compounds. Eds R. C. Weast and M. J. Astle. Boca Raton, Florida CRC Press. Data include physical and spectral properties and references. Chemical Abstracts Service registry number and Beilstein reference. 

The value 1063 demonstrates that the number of possible molecules that may be considered as drugs is seemingly infinite. As of 2011, the number of organic and inorganic substances in the Chemical Abstract Services (CAS) Registry was approximately... 

The validation process enabled the Danish EPA to state that, the (QSAR) models used here are now so reliable that they are able to predict whether a given substance has one or more of the properties selected with an accuracy of approximately 70-85%. In addition to the use described above, the Danish EPA has developed a QSAR database that contains predicted data on more than 166,000 substances (OSPAR Commission, 2000). The Danish EPA used a suite of commercially available and proprietary QSARs for environmental and human health endpoints (see those listed in Table 19.5). The predictions were made off-line and were stored in a database (derived from the CHEM-X software). The database was searchable by Chemical Abstract Service (CAS) number or chemical name. Only discrete organic chemicals can be stored in the database. 

How many of the virtually limitless number of organic compounds are known The organization Chemical Abstracts Service (CAS) has the task of reviewing every article in every chemical journal that is published and tabulating all of the compounds that have been characterized and reported in these articles. Most of these compounds are organic. The CAS registry listed more than 22 million compounds as of 2003. 

The published list of common names and chemical names of pesticides contained in Annex 1 of Specifications for pesticides used in public health insecticides, molluscicides, repellerts, methods 11) should be reformatted to make the presentation clearer. After the common name, the International Organization for Standardization (ISO), International Union of Pure and Applied Chemistry (lUPAC) and Chemical Abstract (CA) names should be printed with the Chemical Abstract Service (CAS) number and the CIPAC number. 

Structure building, manipulation, comparison. SYBYL energy minimization of organic and biomolecules. Stick, space-filling, or cylinder (thick bonds) display. Interface to Chemical Abstracts Service registry files. Molfile transfer to SYBYL and Lab Vision. ChemPrint (under Windows) for 2D chemical structure drawing. PowerSearch for systematic and Monte Carlo conformational searching under Windows environment. Macintosh and PCs (DOS and Windows). 

In the Guideline, a compound list will be added with Individual organic compounds including chemical abstract service (CAS) registry numbers. This list is compiled from experimental data on the presence of compounds found in biomass producer gases from updraft, downdraft and fluidised bed gasification. 

Names used in this Subject Index for Volumes 26-30 are based upon lUPAC Nomenclature of Inorganic Chemistry, Second Edition (1970), Butterworths, London lUPAC Nomenclature of Organic Chemistry, Sections A, B, C, D, E, F, and H (1979), Pergamon Press, Oxford, U.K. and the Chemical Abstracts Service Chemical Substance Name Selection Manual (191S), Columbus, Ohio. For compounds whose nomenclature is not adequately treated in the above references, American Chemical Society journal editorial practices are followed as applicable. 

Another useful publication issued by the Chemical Abstracts Service is Directions for Abstractors and Section Editors of Chemical Abstracts This 52-page, indexed booklet contains much information about the nature, style, and form of abstracts and about nomenclature, spelling, forms, and abbreviations. While these directions are intended primarily for the producers and editors of abstracts, they have proved their helpfulness to users of abstracts and to chemical writing in general. They contain special sections devoted to abstracting (1) organic papers and (2) patents. Copies can be obtained from the Chemical Abstracts Service for 25 cents each. 

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