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Chemical data handling system

a data handling and chemical technology, applied in chemical data visualisation, static indicating devices, instruments, etc., can solve the problems of inability to observe all the data at one time, inability to write a large-scale paper data table of compounds, inferior use effect of large-scale paper, etc., to achieve accurate copying of data

Inactive Publication Date: 2002-07-23
FUJITSU LTD
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Benefits of technology

It is an even further object of the present invention to provide a chemical data handling system having an editing function to enable accurate copying of data between data tables generated in the sheet image.

Problems solved by technology

However, an adequate tool for supporting the arrangement of data by investigators has not yet been proposed.
However, writing a data table of compounds into a large size paper is inferior from the point of view of effective use of space within the investigation room because a wider area is required to enter necessary items and to post the written table.
Moreover, when data is written in a plurality of pages, all the data cannot be observed at one time.
Moreover, when a page is turned over, an investigator is inevitably required to take his eyes off from one notable area to another, and therefore the flow of the thinking of investigator can be interrupted.
In any case, many hours and much labor are required for editing the compound data table once generated, and such editing is very difficult.

Method used

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1st embodiment

FIG. 1 is a block diagram indicating a construction of a chemical data handling system according to the present invention.

This system comprises a storage device 11 consisting of a hard disk 16 or magnetic tape reader 17, a processing unit 12 utilizing a microprocessor, a display unit 13 comprising a screen 13a, a printer 14, and an input unit 15 such as keyboard 18 or mouse 19. This structure can be realized, for example, using a work station or a personal computer. This system is used as an individual unit and moreover is capable of realizing incorporated operation through connection with a host computer 5 and other terminal units 6 via the communication line 7.

The storage device 11 stores programs required for processings or controls in the system as a whole and various chemical data such as compound data DC and data item name DH, etc. On the screen 13a of display unit 13, data table TD (described later), other data and images are displayed. Printing of data table TD or data sheet...

2nd embodiment

Next, a second embodiment of the present invention will be explained. The second embodiment is characterized by adding the function for displaying a chemical structure table to the data table display function utilizing a chemical structure fixing scroll just as explained in the first emboidment.

With reference to FIG. 7 indicating a system construction with a functional block diagram, the same reference numeral is labeled to the element equivalent to that of FIG. 2. In the processing unit 12, the compound data table arranging means 42 represents the means (3137) for reading and arranging the data to be displayed as the data table which has been explained previously with reference to FIG. 2. As the new elements, a structure table arranging means 43, a switching means 44, a data item name designating means 45 and a general data labeling and arranging means 46 are added.

Therefore, according to this system, in the case where the data base DB stored in the storage device 11 is entirely or...

3rd embodiment

The third embodiment of the present invention is characterized by a chemical data handling system providing a function to display the correlation of physical materials of a plurality of compounds as graphs.

Namely, in the correlation diagram display mode, a couple of designated physical material names (data item names DH) are plotted on the XY plane with each compound plotted based on the physical material data DM and the most approximated straight line AL for the plotting points PP that can be obtained arithmetically and displayed.

When the plotting points PP on the screen 13a are designated, the chemical structure CC of the compound corresponding to the designated plotting points PP is displayed at the lower right position of relevant plotting points PP.

In order to display the correlation graph CD, an embodiment shown in FIG. 11 comprises a physical material data readout means 51 for reading physical material data DM of the designated material from a database DB, a correlation graph...

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Abstract

A chemical data handling system is characterized by a display system which displays each data of many compound with an image of a table sheet where the chemical structures are arranged in the direction X and general characteristic data items are arranged in the direction Y. For realizing the display of the entire large scale data table, the system provides a special scroll function. In the case of lateral scroll, the chemical structure display column arranged vertically is fixed at the left side of screen, and the remaining data columns are scrolled laterally. In the case of a vertical scroll, the data item display row arranged laterally is fixed at the upper side of screen, and the remaining data rows are scrolled vertically. Moreover, it is possible to display not only the data table but also a chemical structure list or a chemical data correlation graph.

Description

BACKGROUND OF THE INVENTIONField of the InventionThe present invention relates to a chemical data handling system and particularly to a new chemical data handling system for storing and orderly arranging the structures of compounds or material data within a memory and for displaying such data in the form suitable for application.In the chemical and pharmaceutical industries, investigators deal with many kinds of compounds, and enormous time and labor are required for the orderly arranging of chemical structure data for such compound and general data If such chemical data can be arranged easily and orderly arranged chemical data can be reedited, the investigators can thus spend more of their time for investigations.Therefore, advent of data handling system for easily arranging or editing chemical data and also easily displaying the orderly arranged chemical data for investigators has long been expected.Description of the Prior ArtMany investigators in the chemical and pharmaceutical ...

Claims

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Application Information

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IPC IPC(8): G06T11/20G09G5/34G06F3/033G06F3/048
CPCG06F3/0485G06T11/206G09G5/34G16C20/80Y10S707/99934Y10S715/961
Inventor KUSABA, SHIGEKIIMAMURA, FUTOSHIYAMAMOTO, MASAKOMORI, KAORU
Owner FUJITSU LTD