Information commercial databases

ISI is available in hard copy and electronically at EPA s headquarters and regional Hbraries, and through the National Technical Information Service (NTIS). The electronic form may be installed on IBM PC-compatible computers or placed on local area networks, and mn under Microsoft WINDOWS or WordPerfect s Library program. The Macintosh version is no longer available. The 1993 update will include the ISI hardcopy, PC disks, and the PC system user manual. EPA also pubHshes ACCESS EPA, which provides sources of information, databases, and pubHcations within the EPA. Chapter 5 of that pubhcation includes important environmental databases in air and soHd waste, pesticides and toxic substances, water, and cross-program (110). EPA also provides databases accessible through EPA Hbraries, which describe the private EPA and commercial databases available to Hbrary users (111). 

Although government databases have decreased percentagewise, many commercial databases are built on government data. Census data, for example, are collected at considerable governmental expense. Commercial database producers can take these data, add value to them, and then resell this information as a commercial database product. 

Provides access to EPA information for United States and international requests, and has a range of information sen>-ices consisting of environmental and related subjects of interest to EPA staff, including online searching of commercial databases. The focus of the IRC collection is on environmental regulations, policy, planning, and administration. Hours 8 a.m. - 5p.m., Monday - Friday ESP... 

Commercial service that provides chemical information for US and Global regulations. Contains chemical, physical and toxicity information. The database includes generic chemical names and commercial chemical names. 

Bradshaw et al. have disclosed a rapid and facile method for the dereplication of a purified natural product library [58]. The method integrates the molecular weight from low resolution MS data with the exact count of the number of methyl, methylene and methine groups obtained from ]H-13C NMR correlation data. Those structure properties were converted into a searchable text file that could be downloaded into a customized software program with chemical structure information in a specific format - SMILES. In the program, more than 120,000 unique structures were derived from commercial databases, such as Dictionary of Natural Products and Beilstein. 

The roadblocks to the future are more technical or have to do with options for access, rather than deriving from a basic lack of information. However, this seems to change as one gets away from the standard chemistry areas and into the interface of biology and chemistry. There the perceived roadblocks are the inadequacies of the database interfaces until the information becomes more easily shared, major barriers will continue to exist. Commercial database creators want to protect their investments, so they restrict the number of records that can be downloaded, making it difficult to manipulate and mine hundreds of thousands of hits at once. 

Most of the thermodynamic studies have been performed in aqueous solutions as the cycles and their derivatives are first of all ligands for complexation of water-soluble metal ions. Numerous compounds have been studied and, therefore, only a general overview of trends is given. More information can be find in commercial databases such as NIST Standard Reference Database 46 (Critically Selected Stability Constants of Metal Complexes) or The IUPAC Stability Constants Database (SC-Database) or in reviews <2005PAC1445> (critically evaluated data for DOTA 3 and TETA 4), <1999CCR97> (protonation constants of polyamines) and <2000CCR309> (protonation constants of polyamino-polycarboxylic acids). Overall basicity of the ligands is mostly the main determinant for values of stability constants of metal complexes. 

The most complete and most often used powder diffraction database is the Powder Diffraction File (PDF), which is maintained and periodically updated by the fritemational Centre for Diffraction Data (ICDD ). PDF is a commercial database, and complete information about both the ICDD and Powder Diffraction File is available on the Web at http //www.icdd.com. This database is quite unique it contains either or both the experimentally measured and calculated digitized powder patterns for hundreds of thousands of compounds, including minerals, metals and alloys, inorganic materials, organic compounds and pharmaceuticals. The PDF is available as a whole or in subsets. Each record in the database is historically called the card."... 

One of the first steps in the risk assessment process involves the collection of available information on the physicochemical properties, ecological effects, environmental fate, and health effects for a given chemical. In a nontesting strategy, data are also essential to make predictions by means of the read-across approach. Data can be retrieved from books, Internet-based resources (free and commercial resources), or commercial databases. This is a vast and rapidly developing field, so the reader is referred elsewhere for discussions of data sources [28-31],... 

ChemSpider currently searches over 14 million compounds in multiple chemical structure databases. These include databases of curated literature data, chemical vendor catalogs, molecular properties, enviromnental data, toxicity data, analytical data, and so on. ChemSpider intends to aggregate into a single database all chemical structures available within open access and commercial databases and to provide the necessary pointers from the ChemSpider search engine to the information of interest. This service will allow users to either access the data immediately via open-access links or have the information necessary to continue their searches into commercially available systems. 

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