Database detailed

Acid rain monitoring data in North America have been gathered by Environment Canada and stored in the National Atmospheric Chemistry (NatChem) Database, details of which can be found at www.airquality.tor.ec.gc.ca/natchem. Analysis of the deposition chemistry data has confirmed that wet sulfate deposition did indeed decline in concert with the decline in SO2 emissions in both eastern Canada and the... 

Tlie year also saw an increase in squabbling over who owns what parts of the genome. The scientists and research corporations have worked out a way to share access to a computerized database detailing 35,000 human genes. 

A dozen of utilities implements passive fingerprinting techniques. Most of them compare packet fields to a given fingerprints database. A match means that the OS has been determined. Some tools differ by the answer provided in the case of uncertainty, others by their fingerprinting tables. As a consequence, we have decided to use three different passive fingerprinting utilities, with the possibility to add new ones later on if needed. They are respectively called Disco, pOf and ettercap [38], [39], [40], They all use tcpdump pcap files as input. Their output is in text format which we parse to store the information into the database. Details of the tables are provided in the next Section. 

Beilstein s work was resnrrected by conversion of the printed work into an electronic format, the Beilstein Database. Details of this transition and the earlier marketed electronic formats of the... 

Spontaneous reports of suspected ADRs sent to the Committee on Safety of Medicines are entered in the ADROIT (ADR On-line Tracking) database. Details of the reports, anonymised to maintain total confidentiality, are provided by the MCA to MA holders listings of the reports, known as Drug Analysis Prints (DAPs), and Product Analysis Prints (PAPs), are also available by brand name to the respective MA holder and by generic name to other requesters. 

Macrolide antibiotics In a retrospective population-based nested case-control study from the National Health Insurance Research Database details of patients with heart failure newly treated with digoxin were retrieved from the database [b "]. Patients who were admitted to hospitals with a diagnosis of digoxin intoxication were identified and compared with matched controls. There were 154058 patients 595 were cases and 27020 matched controls were selected for comparison. Prescription of clarithromycin at 7, 14, and 30 days before the index date was associated with a increased rate of hospitalization for digoxin intoxication of three to five times. Clarithromycin in a prescribed daily dose (PDD)/defined daily dose (DDD) ratio >2 led to a 55-fold increase in risk. This study provides empirical evidence that interactions of digoxin with clarithromycin increases the risk of hospitalization for digoxin intoxication in patients with heart failure. 

This presentation will not attempt to present all these projects, but instead focus on the ongoing network activities and the available sources for further information through the Commission s information services, with the CORDIS database being the prime source of information (see details at the end of the paper). 

Table 81.21.1. Surface stmctural detemiination methods. The second colunni indicates whether a technique can be considered a diffraction method, in the sense of relying on wave interference. Also shown are statistics of surface stmctural detemiinations, extracted from the Surface Stmcture Database [14], up to 1997. Counted here are only detailed and complete stmctural determinations, in which typically the experiment is simulated computationally and atomic positions are fitted to experiment. (Some stmctural detemiinations are perfomied by combining two or more methods those are counted more than once in this table, so that the colunnis add up to more than the actual 1113 stmctural detemiinations included in the database.)...

As source of infonnation we use the Surface Structure Database [14], a critical compilation of surface structures solved in detail, covering the period to the end of 1997. It contains 1113 structural detenninations with, on average, two detenninations for each stmcture thus there are approximately 550 distinct solved stnictures available. 

The reaction center has either to be spedfied when inputting a reaction into a database, or it has to be determined automatically. Specification on input is time-consuming but it can benefit from the insight of the human expert, particularly so if the reaction input is done by the primary investigator as is the case in an electronic notebook. Automatic determination of reaction centers is difficult, particularly so when incomplete readion equations are given where the stoichiometry of a reaction is not balanced see Section 3.1). One approach is to try first to complete the stoichiometry of a reaction equation by filling in the missing molecules such as water, N2, etc. and then to start with reaction center determination. A few systems for automatic reaction center specification are available. However, little has been published on this matter and therefore it is not discussed in any detail here. 

Most database users do not know how the data are organized in a database system (DBS) they depend solely on the application programs. This is sufficient for most database searches where users can receive large amounts of results quickly and easily, e.g., on literature or other information. Nevertheless, a basic knowledge on where and how to find deeper or more detailed information is quite useful. Due to their complex nature, comprehensive searches (e.g., for processes or patents) are not recommended for beginners. However, most local (in-house), online, and CD-ROM databases provide extensive tutorials and help functions that are specific to the database, and that give a substantial introduction into database searching. 

For a variety of appHcations such as computer-aided engineering systems, software development, or hypermedia, the relational database model is insufficient. In an RDBMS, it is difficult to model complex objects and environments the various extensive tables become complicated, the integrity is problematic to observe, and the performance of the system is reduced. This led to two sophisticated object-based models, the object-oriented and the object-relational model, which are mentioned only briefly here. For further details see Refs. [10] and [11]. 

Gmelin contains over 800 different chemical and physical property fields, and a detailed index of the original literature. Broad categories of data found in the database include ... 

Figure 5-18. Interactive display of the detailed Beilstein database structure.

The large databases CA, Betlstein, and Gmelin do not provide methods for directly searching spectroscopic data. Detailed retrieval of spectroscopic information is provided in databases that contain one or more types of spectra of chemical compounds. Section 5.18 gives an ovei view of the contents of larger databases including IR, NMR, and mass spectra. 

Recapitulating, large search engines are useful to obtain a fast ovemew of search terms. To get more detailed information one has to enter qualified, specialised portals or even utilize databases (see above). 

Given the enormous number of resources for chemical information available, many researchers do not have the time to learn the details of the variotis systems, and they end up searching in only a few resources with which they are familiar. This is a dangerous approach Knowing that both fee and non-fee resources are available on the Internet and both hold the desired information, it is prudent to search non-fee systems first and then use proprietary databases to fill data gaps [49]. 

Specialty search engines are to be preferred if a database or a detailed menu is available in any other case make use of their directory scan more than one to three result pages. The relevance ranking of a search engine may not correspond to yottr preferences. 

Direct property prediction is a standard technique in drug discovery. "Reverse property prediction can be exemplified with chromatography application databases that contain separations, including method details and assigned chemical structures for each chromatogram. Retrieving compounds present in the database that are similar to the query allows the retrieval of suitable separation conditions for use with the query (method selection). 

Plaspec Material Selection Database Data Resources, Inc. Dialog, STN detailed engineering and design data, chemical descriptions, and trade names for over 11,500 grades of plastics materials... 

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