Databases commercial

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. 

Producers who serve as vendors for their own databases are more numerous than vendors that offer services from databases produced by other organizations. More than 650 producer/vendors plus some 270 traditional commercial database vendors are Hsted in CRDB(l). Only those vendors that offer search services or distribute CD-ROMs for databases other than their own come under this vendor classification (1). Vendors that offer services solely from databases they themselves produce are Hsted as database producers. 

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... 

This website contains a list of almost 100 different EH S databases that are all freeware plus several commercial databases. 

The 2 pharmacophore models were used to search a database of about 1.8 million compounds assembled from 12 commercial databases. Hypothesis 1 returned approximately 20,000 hits, which were aggressively filtered using the Catalyst scoring function, lack of hit to a hERG pharmacophore, clogP <5, fewer than five donors and ten acceptors. Fifteen compounds remained and were available for... 

Two sensibly priced commercial databases for solubility exist [366,507], An article in the journal Analytical Profiles of Drug Substances carries solubility data [496]. Abraham and Le [508] published a list of intrinsic aqueous solubilities of 665 compounds, with many ionizable molecules. It is difficult to tell from published lists what the quality of the data for ionizable molecules is. Sometimes, it is not clear what the listed number stands for. For example, Sw, water solubility, can mean several different things either intrinsic value, or value determined at a particular pH (using buffers), or value measured by saturating distilled water with excess compound. In the most critical applications using ionizable molecules, it may be necessary to scour the original publications in order to be confident of the quality of reported values. 

For a commercial database of known metabolic transformations, Borodina et al. [76] extracted all known sites of aromatic hydroxylations. These observed transformations were used to generate all possible transformations for each molecule, giving an estimate of the probability that each transformation would actually occur. The method was 85% accurate in predicting site of aromatic hydroxylation when tested against a second metabolism database containing 1552 molecules. Boyer et al. [77] took a similar approach using reaction center fingerprints to estimate the occurrence ratio of a particular metabolic transformation. The method successfully predicted the three most probable sites of metabolism in 87% of compounds tested. 

Although facility-specific failure rate data on the specific equipment under study are preferred, often the only way to assemble sufficient data to satisfy study needs is to construct a "generic" data set. This data set is built using inputs from all of the facilities within a company, various facilities within the industry, literature sources, or commercial databases. 

In the technique of post hoc design, a set of descriptors are built up by examination of a set of compounds active at a particular receptor family or sub-class. Normally, the set of drugs would be from a commercial database such as MDDR or the Merck Index, etc. and the descriptors would usually be substructural fragment or key based. One example would be the GPCR-PA+ sub-class referred to above, where BCUT descriptors have been used to aid the design of a focused library of aroimd 2000 compoimds based on 8 scaffolds. Libraries have also been constructed based on peptidomimetic principles as well as on the concepts of privileged structures. ... 

A commercial database covers cinnamates, flavonoids, isoflavones, and lignans plus many nonphenolic plant constituents. Chapter 4 in this volume describes the development of a UK-focused database covering primarily anthocyanidins, flavanols, flavanones, flavones, and flavonols. 

Provides toxicology data for more than 130,000 chemicals in four categories substance identification toxicity/biomedical effects toxicology and carcinogenicity review and exposure standards and regulations. Built and maintained by the National Institute for Occupational Safety and Health (NIOSH) as a segment of the Toxic Release Inventory database. Available online, CD-ROM and computer tape from NIOSH and from commercial database vendors. 

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