Vol.4 No.1 2011

39/78

Research paper : Development and release of a spectral database for organic compounds (T. Saito et al.)−36−Synthesiology - English edition Vol.4 No.1 (2011) among databases open through the Web by the “Research Information DataBase (RIO-DB)” that is operated by AIST. The total number of page views since the database was disclosed to the public exceeded 300 million at the end of fiscal year 2009. The transitions of the number of accesses to the database and the number of spectra compiled to the database per fiscal year are indicated in Figs. 2 and 3, respectively. The number of accesses has been increasing every year in the last ten years because of a remarkable expansion of the usage of the Internet and the recognition of this database among Internet users. Requests for using our spectral data for textbooks[5], reference books[6], and as materials for examination problems, etc. come often from users; there are users who point out mistakes found in our database as well. Figure 4 shows the scenario of the development of this database. This figure indicates a list of various elements which compose this database, relationships between each of the elements and the main characteristics of the database such as the basic structure, completeness, reliability and usability. Important elements for the operation of this database are shown here. A method of how respective elements have been integrated to this spectral database is described in the following chapters.2 Structure of database2.1 Importance of basic structure of databaseThis database has taken a structure that allows two or more kinds of spectra to be accessed for each compound. In order to achieve such a structure, this database was designed and built as seven independent databases: a compound database, which has been called a compound dictionary, and six different spectral databases. All of them were integrated mainly under the compound dictionary as shown in Fig. 5.To do this work smoothly, several kinds of management numbers were prepared. These are a bottle number which is given to a unique bottle of a chemical reagent, a spectral management number which is assigned to each individual spectrum, a spectral code which is only given to the spectrum which is compiled in the database, and an SDBS compound number (called SDBS number within our databasing group) Fig. 4 A scenario of a construction of database and data release to the public for the spectral database for organic compounds (SDBS)Data input toolChemical bottle informationStructure of spectral releasePublication activitySpectra evaluation systemData search engineDatabase management systemUser servicesStructures of research and measurementsTerms of data useData release mediaSpectral assignmentsSpectral measurement accuracyChemical confirmationsCollaboration with outsideKinds of spectraKinds of chemicalsSpectral informationChemical informationProclaimed goalScenario that was setElemental componentsA high quality standardspectrum trusted by usersDevelopment and release ofa spectral databasefor organic compoundsOperabilityUsabilityReliabilityComprehen-sivenessBasic structureAccess page view (million)Fiscal year20092007 2005 2003 2001 1999 1997 50403020100Fig. 2 Yearly transition of the number of access page views since opening to the Web of the spectral database for organic compounds (SDBS) of AISTTotal number of spectra released(thousand)Fiscal year20092008200720062005111110109108107106105104103102Fig. 3 Transition of the number of spectrum open to the public for the last five years for the spectral database for organic compounds (SDBS) of AISTNew spectral data released each fiscal year are shown in faint color.

※このページを正しく表示するにはFlashPlayer9以上が必要です