Data processing: generic control systems or specific application – Specific application – apparatus or process – Chemical process control or monitoring system
Patent
1998-05-11
2000-07-11
Palys, Joseph E.
Data processing: generic control systems or specific application
Specific application, apparatus or process
Chemical process control or monitoring system
345965, G05B 2100
Patent
active
060886293
DESCRIPTION:
BRIEF SUMMARY
TECHNICAL FIELD
The present invention relates to a displaying method of reaction path diagram of compound for displaying a reaction path diagram of compound on a display.
BACKGROUND ART
There are conventional database systems that can display a chemical reaction scheme (formula) of compound on the display. The database systems store data of chemical formulas of existing compounds and display on the display a chemical reaction scheme of one step including a compound as a starting material and a compound as a product, the compounds being obtained by search of the data. Examples of the database systems include the integrated chemical information control system "ISIS" and the reaction information control system "REACCS" available from MDL Inc., Co., the United States.
However, when a compound changed step by step through a plurality of chemical reactions, the conventional database systems were not able to display the series of chemical reactions. It was, therefore, not possible to efficiently search for a path along which a compound changed step by step through a plurality of chemical reactions.
An object of the present invention is to provide a displaying method of reaction path diagram of compound for efficiently searching for a reaction path of compound, thus solving the above problem.
DISCLOSURE OF THE INVENTION
A displaying method of reaction path diagram of compound according to the present invention is a method for displaying a reaction path diagram of compound by use of an apparatus comprising input means, display means, and storage means storing at least reaction path information about compounds in the form of a reaction path information file, said displaying method of reaction path diagram of compound comprising; accepted by said input means, to prepare a reaction path diagram having a first predetermined number of reaction steps, and displaying said reaction path diagram on said display means, diagram, from compounds constituting the reaction path diagram displayed on said displaying means, searching said reaction path information file to extract an end compound accompanied by an undisplayed, adjacent reaction that is an adjacent reaction thereto and is not displayed on said display means, from said every end compound, and displaying on said display means a guide mark corresponding to the undisplayed, adjacent reaction in relation to the end compound accompanied by the undisplayed, adjacent reaction, and information file for an undisplayed compound that makes the undisplayed, adjacent reaction indicated by the selected guide mark and is not displayed on said display means, and scrolling the reaction path diagram displayed on said display means so as to display said undisplayed compound on said display means.
In the displaying method of reaction path diagram of compound of the present invention stated above, said step of scrolling the reaction path diagram may further comprise a step of obtaining a number of reaction steps from the end compound with respect to said end compound corresponding to said selected guide mark, for each of the compounds constituting the reaction path diagram displayed on said display means, and extracting a compound whose number of reaction steps obtained is not more than a second predetermined number of reaction steps. In this case, it is preferable that, when scrolling said reaction path diagram, said undisplayed compound be displayed on said display while displaying said extracted compound on the display means.
Further, in the displaying method of reaction path diagram of compound of the present invention, the reaction path information file may be prepared based on data accepted by said input means. Namely, another displaying method of reaction path diagram of compound of the present invention is a method for displaying a reaction path diagram of compound by use of an apparatus comprising input means, display means, and storage means; numbers of compounds and canonical data corresponding to the respective compounds, and additional information about said compounds,
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Tamura Fumio
Tomonaga Atsushi
Kureha Kagaku Kogyo Kabushiki Kaisha
Palys Joseph E.
Patel Nitin
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