ISIS databases

MACCS/ISIS Databases and DB management systems Daylight Chemical Infor-mation Systems Molecular Design Limited, Inc. (MDLI)... 

ISIS databases are hierarchical, so CHIRBASE was designed to incorporate about 60 data fields on several levels of detail (the main fields are listed in Table 4-2). The first level contains the molecular structure of the sample combined to the molecular structure of the CSP, producing a unique location or entry for a specific sample-CSP couple. Consequently, in the current version of CHIRBASE, which contains 40 000 entries, one entry corresponds to the separation of one sample on one CSP and contains in different sublevels a compilation of all the references and the various analytical conditions available for this separation. 

The subject of heterogeneously catalyzed selective oxidation has been reviewed many times. Under the keyword combination selective catalytic oxidation the ISI database reports about 5400 papers. Over 100 reviews on the topic have been published. In the present discussion, the subjects of methane activation and model studies of unselective CO oxidation, which represent large fields, are excluded. Homogeneously or biologically catalyzed selective oxidation, a combined field that is about 10-fold larger in scientific coverage, is also excluded from this chapter. 

The set of reactions defines the materials largely contained within this set of scientific studies. It deals mostly with vanadium oxides and vanadium phosphates followed by complex MMO phases and HPA. Figure 1.1 shows some relevant trends from the ISI database statistics. 

In previous reports to this series, the increasing use of many-body perturbation theory in molecular electronic structure studies was measured by interrogating the Institute for Scientific Information (ISI) databases. In particular, I determined the number of incidences of the string MP2 in titles and/or ke5rwords and/or abstracts. This acronym is frequently associated with the simplest form of many-body perturbation theory. This assessment of the use of second order many-body perturbation theory will undoubtedly miss many routine applications but should serve to convey both the extent and the breadth of contemporary application areas. 

In the present reporting period, June 2005 to May 2007, the ISI database contained 919 and 904 hits for the years 2005 and 2006, respectively, being, of course, the last two years at the time of writing for which data is available. Over the nine year period 1998-2006 inclusive, the average number of publications with the string MP2 in the title and/or keywords has been 847, ranging between a minimum of 757 and a maximum of 919. Our analysis is summarized in Table 1. 

Total citations indicates the total number of times that each journal has been cited by all journals included in the ISI database within the current product year. ... 

June-December 2003. Interrogation of the ISI database to determine the number of incidences of the string MP2 in the title during the period June 2003 to December 2003, resulted in the following list of 18 publications -... 

FIGURE 3-10 Ratio of publications and citations of the 15 European Union countries in the comparator group (EU15) to the United States on ISI databases 1993-2002. 

The analyst next starts the Decode ChromRead application to associate a decode.report.txt file with each well of each plate. The Decode main application is run to convert the data for each well into an enumeration string ACLxxxx-Afaaaa-Afbbbb-Afcccc. The Code-to-Structure apphcation creates an ISIS database of these enumerated structures. As a final step the analyst uses the EICCAPTURE application in Access to generate the EIC-CAPTURE text files for use in CAPTURE. 

Interrogation of the ISI database to determine the number of incidences of the string MP2" in titles and keywords of papers appearing in The Journal of Chemical Physics during the year 2000 resulted in a list of 69 publications. The list of titles of these publications serves to convey some idea of the variety of applications being reported in The Journal of Chemical Physics. (Only two of these publications" also occur in the list given in Section 3.1.)... 

On the subject of how much impact computational chemists have on the scientific community, a quantifiable measure of a person s contribution to a scientific field, besides the physical mass of one s publications, is the number of citations to a person s papers. It is usually assumed that the more popular a new method, or the more valuable new data, the more the work will be used and cited by subsequent authors. Thus, the number of citations has become one of many measures of the scientific community s assessment of the merits of a person s work. However, critics point to various faults with citation frequency data. For example, some scientists can have a profound and lasting influence on a field of research and still not be the most highly cited. Some scientists can be highly cited and not have much influence beyond their own sphere of interest. Self citation can inflate numbers. Another caveat about citation rankings arises from how the ISI database stores a person s identity. If two or more people share the same last name and initial(s), then they could be miscounted as the same person. Conversely, if an author uses two initials in some papers and only one initial in other papers, then that person could be counted as two different individuals. Furthermore, if a person s name changes or if a person s name is misspelled or spelled inconsistently in citations, that person s citations could look misleadingly low. Fortunately, most of the well-known computational chemists have individualistic names. Further discussion of the issues associated with citation analysis can be found elsewhere. Citation frequency in the field of computational chemistry was earlier analyzed in this book series. ... 

Covering all branches of chemistry, a citation survey was recently compiled by David A. Pendlebury, an analyst in the research department of the Institute for Scientific Information, Inc. (ISI). He searched the ISI database to determine the most cited chemists in the period from 1981 through June... 

Pendlebury made clear in his explanatory notes that his survey covered only chemistry papers published in the stated time period. Excluded from his sums were papers indexed prior to 1981 and all citations to books and miscellaneous publications not covered in the ISI database. ISI indexes all authors on a paper, not just the first author of an article. Of the 627,871 unique author names retrieved from the ISI database, only 10,856 were cited more than 500 times each. This constitutes only 1.7% of the total number of chemistry authors. The top 50 authors on this list are truly in an elite group, constituting a mere 0.01% of the total number of chemists being cited by the scientific community worldwide. The top 50 authors (Table 1) were cited more than 7700 times each. 

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