Chemical name Registry File

Registry File. This CAS file contains more than 11.8 million chemical substance records. About 8,000—14,000 records are added each week as new substances are identified by the CAS Registry System. The substance records contain CAS Registry Numbers, chemical names, stmctures, molecular formulas, ring data biosequence information, and classes for polymers. AH of this information may be displayed. 

Figure 16.1 illustrates the process we recommend for obtaining chemical property data [5]. Assessors usually start with a chemical name or synonym, Chemical Abstracts Service (CAS) Registry Number, and/or the chemical structure. The first task is to confirm the identification and structure of the chemical of interest. The largest (over 30 million chemicals) and most authoritative, but a relatively expensive source of chemical identification information is the Chemical Registry file of the American Chemical Society. However, there are several... 

This database is an on-line, interactive chemical dictionary file which includes information on CAS Registry Numbers, chemical names, synonyms, and other information. 

CAS ONLINE is Chemical Abstracts Service s computerized system that provides access to substance information from the CAS registry file. CAS ONLINE allows users to search for substances on the basis of structural units, registry number, chemical name, or molecular formula. Portions of the CAS information base are licensed by several information vendors. 

CHEMSEARCH is a dictionary listing of the most recently cited substances in CA Search (File 4) and is a companion file to CHEMNAME (File 31). For each substance listed, the following information is provided CAS Registry Number, molecular formula, and CA Substance Index Names. CHEMSEARCH includes all new chemical substances cited in the latest six issues of Chemical Abstracts. Also included are additional chemical substance search terms generated specifically for all DIALOG chemical name dictionaries. Chemical substances already in CHEMNAME are not included. Only the... 

This compound-oriented chemical dictionary file covers all compounds cited in the literature from 1972 to date. It may be searched by chemical name or fragment, by molecular formula or molecular formula fragment, or by group or row within the periodic chart. Each record contains a registry number, the molecular formula, and Chemical Abstract s rigorous nomenclature for a specific chemical. 

In general, for each substance, an unambiguous and unique name was chosen as the preferred name. For organic substances, it is usually one of the various systematic names recommended by lUPAC [79IU1]. A few other systematic names and widely used trivial names were adopted as synonyms. The symbols used to denote the natural elements are those recommended by lUPAC [91IU1]. Each substance is characterized by its chemical name and by its Chemical Abstracts Service (CAS) Registry Number to allow a well-defined search where chemical names are difficult or different chemical names are in common use. The CAS-registry number can be searched for in all disk files without difficulty. 

Figure 2 illustrates the basic content of a Registry substance record. The substance is tetracycline. Included are the CAS Registry Number, the CA Index Name, some synonymous chemical names, the molecular formula, and a stereospecihc structural diagram. An integral part of the CAS Chemical Registry System is the Registry Nomenclature File which contains the CA Index Name, and other systematic, semisystematic, and common names encountered in the chemical literature. 

The CAS Registry System contains not only the Registry File for structural data, but also the Nomenclature File, containing CA index names and synonyms, which may be other systematic names, common names, trade names, etc. (see Nomenclature Searching and Nomenclature Automatic Generation and Conversion) Currency, there are over 24 million chemical names in the Registry System. 

Online Registration is a tool that is used to identify new substances. For any chemical substance that is not matched to an authority file term or for which there is no author supplied substance name, the structure is drawn for the substance and it is matched against the Registry File. If this structure matches a substance already on file, the appropriate CAS Registry... 

By means of this CAS Registry File it is possible to ascertain whether or not a substance with a certain name has already been mentioned under another name. In the course of registration for Chemical Abstracts about 6000 substances are checked daily. If not yet registered, the structural formula of the new substance is first stored. The substance is then awarded a systematic CA Index Name based on lUPAC rules, and the rules of the Chemical Abstracts Service, by a nomenclature expert (Sect. 2.1.3.2). Weekly about 13,000 structures are registered, 690,000 new substances each year (1992). 

The literature before 1967 is included retrospectively in the database CAOLD, which, in the meantime, contains 700,000 references to 1.4 million substances, which were mentioned before 1967, and 152.000 references to patents. For this database Chemical Abstracts Service scans bit by bit the Formula Index of the Sixth (1957-1961) and the Seventh (1962-1966) Collective Period. Therefore only substance references are contained in this database with no text information or even abstracts. However, cross-references to patents are marked with P. Using this database you have to consider that the chemical nomenclature in those days was quite different to the names in use today. Therefore an online search in CAOLD should be proceded by a search in the Registry File (Sect. 7.6) and then continued with the appropriate CAS Registry Number in CAOLD. 

Until this point, i.e. back to 1967, this search can be conducted online very quickly, as illustrated in Sect. 7.3.1.1, Fig. 119 Firstly all names to piceol are selected in the Registry File and then transferred to the CA File to conduct the literature search. Looking for the literature before 1967, the printed Chemical Abstracts have to be consulted. 

The Registry Handbook - Common Names provides a simple method of determining, which chemical substance is meant by a trade or trivial name or vice versa and which other names are known for a certain substance. This is especially important for literature searches in which no CAS Registry Numbers can be used, only substance names. In many cases it can save an expensive online search in the Registry File. 

The Nomenclature File - often referred to only as REG-File - contains all the chemical substances, which have been registered by the Chemical Abstracts Service (CAS) since 1965. Nearly 700,000 structures from 1957 to 1964 are included (Sect. 1.3.1.1). The database currently consists of 12.8 million records with more than 18.3 million names. Every week, between 7000 and 14,000 chemical compounds are added to the file. There is a learn file version to the Registry File, containing about 125,000 substances. All the documents in the learning file are made up exactly in the same way as in the Registry File. It is thus a valuable and low cost preparation to Registry File queries. 

The Registry File equally allows for direct searching of molecular weights, such as precise values, minima, maxima and ranges. But as the function of the respective command is related to a lot of CPU time by the system, the ranges should not be too large. Best use of it is made for restricting a chemical name search. 

When looking for a chemical compound in the CA file, very often the first step will be a Registry File search (Sects. 7.1 and 7.2). There are two possible ways of using the search results found in the Registry File. You can either take over the Registry Numbers found, or all the names cited in the document. 

Very often a query with just a Registry Number does not yield a sufficient number of results. The chemical names must then be included in the search. In order to avoid writing every single name, the SELECT CHEM command was created, taking over every entry in the CN field of the Registry File. 

The search begins as a nomenclature search in the Registry File (Fig. 120). The command SELECT CHEM will write all the Registry Numbers and all entries in the Chemical Name (CN) field into a temporary memory. All such entries will receive an E-number, similar to the EXPAND command. 

When conducting a search in the database of databases CUADRA (registry of all available commercial databases) for the term Chemical Industry, 81 files are named. Hardly any other economic sector is able to show a comparable number of specific business files as the chemical industry. 

The search for chemical compounds is processed as in the Registry File (Sect. 7.1.2). As the field Chemical Name (CN) is phrase-indexed, the entry of the search string must correspond exactly to the occurrence in the file. Preceding the query with the EXPAND command, as demonstrated in Fig. 143, will allow the precise entry to be found. 

Searching for chemical substances in the printed services inevitably demands the correct name for the collective period. This may become a most laborious task, as shown in Sects. 2.2 and 2.7. The advantage of searching the Registry File online is evident any name, trivial, trade or systematic will retrieve all existing synonyms and the CAS Registry Numbers. All such names may be processed in one step to other databases (Sect. 7.3.1) - a great... 

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