Chemical Abstracts registry file

Tel. 614-447-3600, e-mail kpc23 cas.org Three-dimensional structures for over four million compounds from the Chemical Abstracts registry file generated through CONCORD. 

Three-dimensional structures generated from the Chemical Abstracts registry file by CONCORD. 

When the comparison is with the real chemical world, novelty concerns much smaller numbers. In March 2002, the Chemical Abstracts Registry file contained more than 37 million chemical substance registrations, which contained almost 19.5 million organic and inorganic substances. The CrossFire Beilstein database contained data on over 8 million organic compounds on the same search date. It is a tedious exercise, but very much worth the effort, to take databases such as these based on Beilstein and remove trivial small molecules ( non-druglike ) and see how many compounds remain. The result is less than half a million. 

Chemical Abstracts Service (CAS) is also an authority on polymer nomenclature. CAS publishes Chemical Abstracts, which is available both in printed format and electronically via STN International, Scientific and Technical Information Network. The Chemical Abstracts Registry file provides many examples of CAS polymer nomenclature principles, which are published as Section 222 of Appendix IV in every edition of the CA Index Guide (33). 

The Chemical Abstracts Registry File became substructure searchable online in the early 1980s, first by means of the DARC (Description, Acquisition, Retrieval and Correlation) system (75) as implemented by Telesystemes and, soon afterwards, in the CAS ONLINE Service (76). 

CAS/STlS[Interna.tiona.1. CAS/STN offers stmcture searchable files such as Registry, Beilstein, MARPAT, CASREACT, and Gmelin a variety of learning files, eg, LRegistry, LBeHstein, LMARPAT, and LCASREACT and software products such as STN Express for on-line stmcture and substmcture searching. Chemical Abstracts Service, a division of the American Chemical Society, has pubHshed Chemical Abstracts since 1907 and joindy operates STN International with EIZ Kadsmhe and the Japan Information Center of Science and Technology. 

CA File, CAPlus, CA Previews STN Chemical Abstracts Service international, chemistry limited bibhographic data comprehensive English language abstracts deep indexing of chemical concepts stmcture-searchable compound registry chemical stmcture drawings... 

The world wide facilities for retrieving chemical information provided by the Chemical Abstract Service (CAS on-line) have made it a relatively easy matter to obtain CAS registry numbers of substances, and most of the numbers in this monograph were obtained via CAS on-line. We should point out that two other available useful files are CSCHEM and CSCORP which provide, respectively, information on chemicals (and chemical products) and addresses and telephone numbers of the main branch offices of chemical suppliers. 

Chemical Abstract Service. 2000. Chemical Abstract Service Registry File Data Bank. December,... 

The 8(b) inventory accumulation was the next major activity. For a decentralized company like Monsanto or, for that matter, most major chemical companies, the experience of centralized information gathering was a new experience. However, we believe that the experience not only was novel, but proved to be beneficial from several points of view. First of all, it enabled us to evolve a network of expertise. Second it gave us a central data-base on which to build other information important from a corporate point of view, and permit a one-time expense for developing a system. Third, it revealed that we needed to improve our data files in some areas. And, fourth, it gave our central staff departments some surprises as to substance locations. We used the Chemical Abstract Service Registry Profile capabilities to gather all the known synonyms and added our internal numeric and common identifiers to access the file via dozens of possible names or numbers. 

CAS. 1988. Chemical Abstract Services Online Registry File. Decembers, 1988. 

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... 

CAS CHEMICAL REGISTRY 8,000,000 compounds CHEMICAL ABSTRACTS SERVICE The world s largest file of substance information, including coordination compounds, polymers, incompletely defined substances, alloys, mixtures, and minerals. In each record, the registry number is linked to molecular structure diagram, molecular formula, CA index name, synonyms, and the ten most recent references in Chemical Abstracts. Easy crossover to the bibliographic file... 

Tel. 800-323-2960, 314-647-1099, fax 314-647-9241 (U.S.A.), tel. 44-344-300-144, fax 44-344-360-638 (U.K.), tel. 81-3-3711-1511, fax 81-3-3711-1704 (Japan), e-mail kathy tripos.com Structure building, manipulation. SYBYL energy minimization. Stick, spacefilling, or cylinder (thick bonds) display. Interface to Chemical Abstracts Service registry files. Molfile transfer to SYBYL and Lab Vision. ChemPrint for chemical structure drawing. MM2(87) for PC. Macintosh, PC DOS, and Windows versions. 

Phthalides and phthalic anhydrides are extremely common components in a huge variety of polymers, and are prepared using many chemical processes. There are over 1300 references to polymers derived from phthalic anhydrides in the Registry File of Chemical Abstracts. Phthalic anhydride itself is used in polyester resins but there are also many examples of polyimides that are derived from related anhydrides. In this section, a few examples representing a range of structure and polymerization process are presented. 

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