Substructure searching of computer-readable CAS 8CI chemical nomenclature files

Based on nomenclature used in the eighth collective index to Chemical abstracts, 1967-1971 by American Chemical Society.

Written in English
Published: Downloads: 18
Share This
The Physical Object
FormatUnknown Binding
ID Numbers
Open LibraryOL8226450M
ISBN 10084120182X
ISBN 109780841201828

Structure searching of the CAS 9 million plus files of connection tables costs about $ - per hour. The current cost of the Beilstein Online factual and structure files averages to $ - per hour for both STN and DIALOG, although the cost can go considerably higher, depending on the exact nature of what one does on the system. The digits before the first hyphen represent the CAS (Chemical Abstracts Service) and remaining digits denote the registry number. For example, in case of aspirin, the CAS number is Here 50 represents CAS and represents registry number. Some example chemical substance CAS registry numbers are: Aspirin: ; Water:   Use your existing chemical drawing programs (e.g., ChemDraw, ACD ChemSketch, Marvin Sketch) to generate a computer-readable SMILES formula for each compound presented in your article. Paste these formulas into the spreadsheet template, along with . DIVISION OF CHEMICAL NOMENCLATURE AND STRUCTURE REPRESENTATION RED BOOK ESSENTIALS Kort vejledning i uorganisk-kemisk nomenklatur følger pilen i grundstofsekvensen (Figur 1), betragtes som værende en R. M. Hartshorn (New Zealand), K.-H. Hellwich (Tyskland), A. Yerin (Rusland), T. Damhus (Danmark), A. T. Hutton (Sydafrika).

That would be WC, CAS [] according to the International Chemical Safety Card. Physchim62 , 24 March (UTC) DIAD vs DEAD. Smokefoot left a comment in an edit to the worklist on this. You can search by the title or ISSN, or review by topic, alphabet and languages of the journals. Parent Compound. There are common parent substances in the database. Pesticide Common Names. There are nearly 2, pesticides in this dictionary. You can search by common name, CAS NO. and so on, or you can review by the classifications also. A compact Modular Chemical Descriptor Language (MCDL) chemical structure editor (Java applet) is described. The small size (approximately KB) of the applet allows its use to display and edit chemical structures in various Internet applications. The editor supports the MCDL format, in which structures are presented in compact canonical form and is capable of restoring bond orders as well as. © Chemical Synthesis Database. All Rights Reserved.

contains CAS Registry Numbers; molecular formulas; preferred chemical index nomenclature;.generic and trivial names derived frog the CAS Registry Nomenclature File- and a locator which points to other files in the NLM system containing information on that al . Chemicals >> Quick Search, Structure Search Enter a name, molecular formula or cas number: © Chemexper SPRL - Search different products from chemicals suppliers. Nomenclature, a collection of rules for naming things, is important in science and in many other module describes an approach that is used to name simple ionic and molecular compounds, such as NaCl, CaCO 3, and N 2 O simplest of these are binary compounds, those containing only two elements, but we will also consider how to name ionic compounds containing . CHEMICAL NOMENCLATURE ANSWERS LBS Dr. R. LaDuca. 1. cobalt (II) chloride hexahydrate.

Substructure searching of computer-readable CAS 8CI chemical nomenclature files by American Chemical Society. Download PDF EPUB FB2

The Chemical Abstracts Service Chemical Registry System. Substance-Related Statistics. Journal of Chemical Information and Computer Sciences20 (2), DOI: /cia Ronald G.

Dunn, William Fisanick, and Antonio Zamora. A Chemical Substructure Search System Based on Chemical Abstracts Index Nomenclature. Journal of Cited by: 6. found: American Chemical Society. Chemical Abstracts Service. Substructure searching of computer-readable CAS 8CI chemical nomenclature files, Substructure searching of computer-readable CAS 8CI chemical nomenclature files.

Based on nomenclature used in the eighth collective index to Chemical abstracts, [] American Chemical Society. Development of the computer-readable version of the Beilstein database prompted an extended review of factual and substructure search techniques.

In order to provide appropriate access to the three-dimensional structure information in combination with the extensive range of physical property information, new methods of online access had to be Author: Peter F. Rusch.

By earlythe CAS Registry, no longer experimental, began to include all chemical substances indexed in Chemical Abstracts, with their structures and names recorded in computer-readable files.

Every substance was given a permanent, unambiguous and unique identifying number, the CAS. 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.

Substructure Searching of Computer-Readable Chemical Abstracts Service Ninth Collective Index Chemical Nomenclature Files.

Journal of Chemical Information and Computer Sciences15 (2), DOI: /cia   INTRODUCTION Chemical Abstracts Service (CAS) has been interested in computer-based substance searching since the late s when we developed a batch substructure search system based on the structure or topology of a specific chemical substance as represented in a connection table.1 During the early s, efforts were focused on the.

Customer Care at [email protected] or Full Details of Changes The full details of the nomenclature changes (previously published as Appendix IV of the CA Index GuideSM) have been published as Naming and Indexing of Chemical Substances for Chemical AbstractsTM, available at With coverage of nearly international regulatory inventories and lists, NCI Global makes it easy to search by CAS Registry Numbers®, chemical names, and more.

PatentPak PatentPak® is an integrated workflow solution designed to radically reduce time spent acquiring and searching through full-text patents to find vital chemistry insights. Substance Search. Welcome to Common Chemistry ™ from Chemical Abstracts Service (CAS), a web resource that contains CAS Registry Numbers for approximately 7, chemicals of widespread general public interest.

Common Chemistry is helpful to non-chemists who know either a name or CAS Registry Number ® of a common chemical and want to pair both pieces of information. license some of its computer-readable files to a number of organizations for the purpose of their providing information services based on local batch searching of the files.

In the early s remote online access was extended to some of these files. InCAS introduced its own online service, CAS Online. The initial offering provided online. CAS No. search structure, CAS number search chemical properties, Search CAS No.

by synthesis route, Search CAS number by precursor and downstream products, Free chemical CAS database + [email protected] A 'read' is counted each time someone views a publication summary (such as the title, abstract, and list of authors), clicks on a figure, or views or downloads the full-text.

Borrowing Books & Journals and Options for Document Supply; Chemical Information on the Web; Chemistry Search Service; Historical Enquiries; Image Reproduction Service; Library Enquiries Form; M25 Consortium; Tools. The CIS [] is a collection of online databanks all with the same chemical substructure search facility, the Structure and Nomenclature Search System, SANSS (see Section ).

Carbon NMR database of the Fachin formationszentrum (FIZ) The database C13NMR has been available online on STN International since December To search, select a Criteria Type and a Criteria.

For searches using Criteria Types: Classification, Characteristic, or Reason for Regulation, select the Criteria from the drop down box. For searches using Criteria Type: List Name, use the Filter button to narrow the choices in the text box.

A CAS Registry Number, also referred to as CASRN or CAS Number, is a unique numerical identifier assigned by the Chemical Abstracts Service (CAS) to every chemical substance described in the open scientific literature (currently including all substances described from through the present, plus some substances from the early or mid s), including organic and inorganic compounds.

DOT - chemical information, properties, structures, articles, patents and more chemical data. Enter your search term above and find: CAS Numbers Molecular Formulas Synonyms Sites/Web Search. Chemical Abstracts Service files. 30 June INTERFACE AND INTERACTION.

Chemical Abstracts Servica (CAS) ^f tha ArtleYein" Chemical Society is chemical nomenclature, and significant literature citations for these com-pounds. tion of the CAS Substructure Search System.

It is expected that the. CAS soon produced other new printed and computer-readable through a search of chemical nomenclature might well be prohibitively difficult and time-consuming. could now access CAS files. In the Oct. 31,issue of Little CA, Crane published his farewell to the staff (in an editorial whimsically titled "Swan Song of a Crane") and introduced his successor.

Crane actually named three men to replace him in managing CAS. Dale B. Baker was named director, but he would be assisted by Leonard T. Capell, executive consultant, who was a nomenclature authority, and Charles L. Bernier. CALCIUM - chemical information, properties, structures, articles, patents and more chemical data.

Enter your search term above and find: CAS Numbers Molecular Formulas Synonyms Sites/Web Search. Record IDs should not be used as proxies for molecular structure for cheminformatics purposes, unless there is an automated way to look up and retrieve the original structure data files.

The most familiar system of chemical record IDs is the Chemical Abstracts Service Registry Number (CAS RN). Chemical Nomenclature Chemical Nomenclature Naming and Writing Chemical Formulas About this Lesson This activity is a guided lecture to teach students the rules for naming and writing various types of chemical formulas.

This lesson is more in depth than many high school texts including the introduction of organic nomenclature early on in the. 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 properties but the search.

It has been suggested that this article be merged into Glossary of chemical formulae. (Discuss) Proposed since February This is a list of CAS numbers by chemical formulas and chemical compounds, indexed by formula. The CAS Registry Numbers from the selected documents and the associated roles are tabulated in a Microsoft Excel interactive spreadsheet.

Click 3-D Column on the bottom of the sheet to view the data as a 3-D column. To create a report from Hit CAS Registry Numbers and CAS Roles. Conduct a search in the CA/CAplus or CAS REGISTRY database. Chemical Abstracts Service (CAS): J a National Historic Chemical Landmark by Judah Ginsberg (Book) Development of a decision model for the economical retrospective machine searching of CA condensates based on subdividing the file on a subject basis by Bahaa El-Hadidy (Book).

Preparation of search profiles; a guide to the effective use of CAS search services on magnetic tape by American Chemical Society (Book) Online-Recherchen in Datenbanken des Chemical Abstracts Service: e.

Einf. in d. For my example there are a lot of errors and "not found" entries, but when I search manually using either the traditional name or the SMILES, CACTUS returns the correct value.

ChemAxon e7bca1 Pages in category "Chemical nomenclature" The following 84 pages are in this category, out of 84 total. This list may not reflect recent changes (learn more). Search by chemical name This allows you to search for a substance by chemical name.

The program will search for all the names including synonyms. Example: indole or 2-phenyl-1H-benzimidazole Search by Cas number This allows you to search for a substance by CAS registry number.

Example: Search by EINECS number This allows you to search for a substance by .