EP0213483A2
Expired / Lapsed
EP
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Method for processing information on chemical reactions
Assignee: Fujifilm Holdings Corp
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Filing: 1986-08-12
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Granted: —
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Expires: 2006-08-12
Abstract
Abstract A method for recording and storing information on chemical reactions of producing at least one product from at least one starting material, which comprises representing the chemical reaction in such a manner that the starting material is topologically superposed upon the product, and bonds are distinguished and classified into three categories of (1) bonds linking two nodes appearing both in the starting and product stages, (2) bonds linking two nodes appearing only in the starting stage and (3) bonds linking two nodes appearing only in the product stage. Methods for processing information on chemical reactions to record and store, which include preparing an imaginary transition structure (ITS) of a chemical reaction and a connection table of ITS according to said representation are also disclosed.
Inventors
- 👤 Shinsaku Fuji Photo Film Co. Ltd. Fujita
Bibliographic Details
Application Number
—
Jurisdiction
EP
Data Source
google_patents
Last Synchronized
2026-11-07 20:55
CPC Classifications
G; G16; G16C; G16C20/00; G16C20/10; G16C20/90
Claims Analysis
Total Claims: 54
Claim 1
Independent Claim
88 words
A method for recording and storing information on chemical reactions of producing at least one product from at least one starting material, which comprises representing the chemical reaction in such a manner that the starting material is topologically superposed upon the product, and bonds are distinguished and classified into three categories of (1) bonds linking two nodes appearing both in the starting and product stages, (2) bonds linking two nodes appearing only in the starting stage and (3) bonds linking two nodes appearing only in the product stage.
Claim 2
Independent Claim
88 words
A method for recording and storing information on chemical reactions of producing at least one product from at least one starting material, which comprises representing the chemical reaction in such a manner that the starting material is topologically superposed upon the product, and bonds are distinguished and classified into three categories of (1) bonds linking two nodes appearing both in the starting and product stages, (2) bonds linking two nodes appearing only in the starting stage and (3) bonds linking two nodes appearing only in the product stage.
Claim 3
Dependent Claim
32 words
The method for recording and storing information on chemical reactions as claimed in claim 1, wherein said nodes appearing in the starting stage and/or in the product stage are atoms or groups.
Claim 4
Dependent Claim
40 words
The method for recording and storing information on chemical reactions as claimed in claim 1, wherein said bonds appearing in the starting stage and/or in the product stage are distinguished and denoted by characters, symbols, colors or a combination thereof.
Claim 5
Dependent Claim
71 words
The method for recording and storing information on chemical reactions as claimed in claim 1, wherein said bonds appearing in the starting stage and/or in the product stage are distinguished and denoted by a pair of integers (a,b), in which the integer a is bond multiplicity of the corresponding bond of the starting material and the integer b is difference in the bond multiplicity between the product and the starting material.
Claim 6
Independent Claim
113 words
A method for recording and storing information on chemical reactions of producing at least one product from at least one starting material, which comprises: preparing a structural diagram showing structural change of substances in the chemical reaction on the basis of information on bonds which are distinguished between the starting material and the product topologically superposed thereon and classified into three categories of (1) bonds linking two nodes appearing both in the starting and product stages, (2) bonds linking two nodes appearing only in the starting stage and (3) bonds linking two nodes appearing only in the product stage; and recording and storing the chemical reaction in the form of said structural diagram.
Claim 7
Independent Claim
113 words
A method for recording and storing information on chemical reactions of producing at least one product from at least one starting material, which comprises: preparing a structural diagram showing structural change of substances in the chemical reaction on the basis of information on bonds which are distinguished between the starting material and the product topologically superposed thereon and classified into three categories of (1) bonds linking two nodes appearing both in the starting and product stages, (2) bonds linking two nodes appearing only in the starting stage and (3) bonds linking two nodes appearing only in the product stage; and recording and storing the chemical reaction in the form of said structural diagram.
Claim 8
Dependent Claim
28 words
The method for recording and storing information on chemical reactions as claimed in claim 5, wherein a title of the chemical reaction is given to said structural diagram.
Claim 9
Independent Claim
120 words
A method for recording and storing information on chemical reactions of producing at least one product from at least one starting material, which comprises: preparing a connection table containing information on nodes, neighboring nodes and bonds linking said two nodes in the chemical reaction on the basis of information on bonds which are distinguished between the starting material and the product topologically superposed thereon and classified into three categories of (1) bonds linking two nodes appearing both in the starting and product stages, (2) bonds linking two nodes appearing only in the starting stage and (3) bonds linking two nodes appearing only in the product stage; and recording and storing the chemical reaction in the form of said connection table.
Claim 10
Independent Claim
120 words
A method for recording and storing information on chemical reactions of producing at least one product from at least one starting material, which comprises: preparing a connection table containing information on nodes, neighboring nodes and bonds linking said two nodes in the chemical reaction on the basis of information on bonds which are distinguished between the starting material and the product topologically superposed thereon and classified into three categories of (1) bonds linking two nodes appearing both in the starting and product stages, (2) bonds linking two nodes appearing only in the starting stage and (3) bonds linking two nodes appearing only in the product stage; and recording and storing the chemical reaction in the form of said connection table.
Claim 11
Dependent Claim
29 words
The method for recording and storing information on chemical reactions as claimed in claim 7, wherein said connection table contains information on two-dimensional or three-dimensional coordinate of each node.
Claim 12
Dependent Claim
28 words
The method for recording and storing information on chemical reactions as claimed in claim 7, wherein a title of the chemical reaction is given to said connection table.
Claim 13
Dependent Claim
42 words
The method for recording and storing information on chemical reactions as claimed in claim 7, wherein said chemical reaction is recorded and stored in the form of a structural diagram showing structural change of substances therein as well as the connection table.
Claim 14
Independent Claim
102 words
A method for processing information on chemical reactions of producing at least one product from at least one starting material, to record and store said information, which comprises: topologically superposing the starting material upon the product on the basis of information on structures thereof; distinguishing and classifying bonds into three categories of (1) bonds linking two nodes appearing both in the starting and product stages, (2) bonds linking two nodes appearing only in the starting stage and (3) bonds linking two nodes appearing only in the product stage; and preparing a structural diagram showing structural change of substances in the chemical reaction.
Claim 15
Independent Claim
102 words
A method for processing information on chemical reactions of producing at least one product from at least one starting material, to record and store said information, which comprises: topologically superposing the starting material upon the product on the basis of information on structures thereof; distinguishing and classifying bonds into three categories of (1) bonds linking two nodes appearing both in the starting and product stages, (2) bonds linking two nodes appearing only in the starting stage and (3) bonds linking two nodes appearing only in the product stage; and preparing a structural diagram showing structural change of substances in the chemical reaction.
Claim 16
Dependent Claim
40 words
The method for processing information on chemical reactions as claimed in claim 11, wherein said information on the structures of the starting material and the product is given in the form of a structural formula or in a three-dimensional form.
Claim 17
Dependent Claim
52 words
The method for processing information on chemical reactions as claimed in claim 11, wherein said information on the structures of the starting material and the product contains kind of each node, two-dimensional or three-dimensional coordinate thereof and bond multiplicity of each bond linking two nodes in the starting material and the product.
Claim 18
Dependent Claim
45 words
The method for processing information on chemical reactions as claimed in claim 11, wherein the bonds linking two nodes in said structural diagram showing the structural change of substances in the chemical reaction are distinguished and denoted by characters, symbols, colors or a combination thereof.
Claim 19
Dependent Claim
29 words
The method for processing information on chemical reactions as claimed in claim 11, wherein the information on the chemical reaction is stored in the form of said structural diagram.
Claim 20
Dependent Claim
31 words
The method for processing information on chemical reactions as claimed in claim 11, wherein the information of the chemical reaction is recorded or displayed in the form of said structural diagram.
Claim 21
Independent Claim
109 words
A method for processing information on chemical reactions of producing at least one product from at least one starting material, to record and store said information, which comprises: topologically superposing the starting material upon the product on the basis of information on structures thereof; distinguishing and classifying bonds into three categories of (1) bonds linking two nodes appearing both in the starting and product stages, (2) bonds linking two nodes appearing only in the starting stage and (3) bonds linking two nodes appearing only in the product stage; and preparing a connection table containing information on nodes, neighboring nodes and bonds linking said two nodes in the chemical reaction.
Claim 22
Independent Claim
109 words
A method for processing information on chemical reactions of producing at least one product from at least one starting material, to record and store said information, which comprises: topologically superposing the starting material upon the product on the basis of information on structures thereof; distinguishing and classifying bonds into three categories of (1) bonds linking two nodes appearing both in the starting and product stages, (2) bonds linking two nodes appearing only in the starting stage and (3) bonds linking two nodes appearing only in the product stage; and preparing a connection table containing information on nodes, neighboring nodes and bonds linking said two nodes in the chemical reaction.
Claim 23
Dependent Claim
40 words
The method for processing information on chemical reactions as claimed in claim 17, wherein said information on the structures of the starting material and the product is given in the form of a structural formula or in a three-dimensional form.
Claim 24
Dependent Claim
47 words
The method for processing information on chemical reactions as claimed in claim 17, wherein said information on the structures of the starting material and the product contains kind of each node and bond multiplicity of each bond linking two nodes in the starting material and the product.
Claim 25
Dependent Claim
42 words
The method for processing information on chemical reactions as claimed in claim 19, wherein said information on the structures of the starting material and the product further contains two-dimensional or three-dimensional coordinate of each node in the starting material and the product.
Claim 26
Dependent Claim
66 words
The method for processing information on chemical reactions as claimed in claim 17, wherein the bonds linking two nodes in said connection table are distinguished and denoted by a pair of integers (a,b), in which the integer a is bond multiplicity of the corresponding bond of the starting material and the integer b is difference in the bond multiplicity between the product and the starting material.
Claim 27
Dependent Claim
29 words
The method for processing information on chemical reactions as claimed in claim 17, wherein the information on the chemical reaction is stored in the form of said connection table.
Claim 28
Dependent Claim
31 words
The method for processing information on chemical reactions as claimed in claim 17, wherein the information on the chemical reaction is recorded or displayed in the form of said connection table.
Claim 29
Dependent Claim
42 words
The method for processing information on chemical reactions as claimed in claim 22, wherein the information on the chemical reaction is stored in the form of a structural diagram showing the structural change of substances therein as well as said connection table.
Claim 30
Independent Claim
113 words
A method for processing information on chemical reactions of producing at least one product from at least one starting material, said information being given in the form of imaginary transition structures in which the starting material is topologically superposed upon the product and bonds are distinguished and classified into three categories of (1) bonds linking two nodes appearing both in the starting and product stages, (2) bonds linking two nodes appearing only in the starting stage and (3) bonds linking two nodes appearing only in the product stage, which comprises deleting said bonds (3) appearing only in the product stage from the imaginary transition structure to obtain a structure of the starting material.
Claim 31
Independent Claim
113 words
A method for processing information on chemical reactions of producing at least one product from at least one starting material, said information being given in the form of imaginary transition structures in which the starting material is topologically superposed upon the product and bonds are distinguished and classified into three categories of (1) bonds linking two nodes appearing both in the starting and product stages, (2) bonds linking two nodes appearing only in the starting stage and (3) bonds linking two nodes appearing only in the product stage, which comprises deleting said bonds (3) appearing only in the product stage from the imaginary transition structure to obtain a structure of the starting material.
Claim 32
Dependent Claim
39 words
The method for processing information on chemical reactions as claimed in claim 25, wherein said imaginary transition structure is in a two-dimensional form and said structure of the starting material is obtained in the form of a structural formula.
Claim 33
Dependent Claim
27 words
The method for processing information on chemical reactions as claimed in claim 25, wherein said structure of the starting material is stored as information on chemical substances.
Claim 34
Dependent Claim
35 words
The method for processing information on chemical reactions as claimed in claim 25, wherein said structure of the starting material is recorded on a recording material or displayed on a screen of a display device.
Claim 35
Independent Claim
119 words
A method for processing information on chemical reactions of producing at least one product from at least one starting material, said information being given in the form of connection tables containing information on nodes and bonds linking two nodes which are distinguished between the starting material and the product topologically superposed thereon and classified into three categories of (1) bonds linking two nodes appearing both in the starting and product stages, (2) bonds linking two nodes appearing only in the starting stage and (3) bonds linking two nodes appearing only in the product stage, which comprises deleting said bonds (3) appearing only in the product stage from the connection table to obtain a connection table of the starting material.
Claim 36
Independent Claim
119 words
A method for processing information on chemical reactions of producing at least one product from at least one starting material, said information being given in the form of connection tables containing information on nodes and bonds linking two nodes which are distinguished between the starting material and the product topologically superposed thereon and classified into three categories of (1) bonds linking two nodes appearing both in the starting and product stages, (2) bonds linking two nodes appearing only in the starting stage and (3) bonds linking two nodes appearing only in the product stage, which comprises deleting said bonds (3) appearing only in the product stage from the connection table to obtain a connection table of the starting material.
Claim 37
Dependent Claim
78 words
The method for processing information on chemical reactions as claimed in claim 29, wherein said bonds linking two nodes in the connection tables are distinguished and denoted by a pair of integers (a,b), in which the integer a is bond multiplicity of the corresponding bond of the starting material and the integer b is difference in the bond multiplicity between the product and the starting material, and said method comprises substituting the pair of integers (a,b) with a.
Claim 38
Dependent Claim
25 words
The method for processing information on chemical reactions as claimed in claim 29, wherein said connection tables contain two-dimensional or three-dimensional coordinate of each node.
Claim 39
Dependent Claim
35 words
The method for processing information on chemical reactions as claimed in claim 31, wherein a structure of the starting material is further obtained in the form of a structural formula or in a three-dimensional form.
Claim 40
Dependent Claim
38 words
The method for processing information on chemical reactions as claimed in claim 29 or 32, wherein said connection table of the starting material and/or said structural formula or three-dimensional structure thereof is stored as information on chemical substances.
Claim 41
Independent Claim
112 words
A method for processing information on chemical reactions of producing at least one product from at least one starting material, said information being given in the form of imaginary transition structures in which the starting material is topologically superposed upon the product and bonds are distinguished and classified into three categories of (1) bonds linking two nodes appearing both in the starting and product stages, (2) bonds linking two nodes appearing only in the starting stage and (3) bonds linking two nodes appearing only in the product stage, which comprises deleting said bonds (2) appearing only in the starting stage from the imaginary transition structure to obtain a structure of the product.
Claim 42
Independent Claim
112 words
A method for processing information on chemical reactions of producing at least one product from at least one starting material, said information being given in the form of imaginary transition structures in which the starting material is topologically superposed upon the product and bonds are distinguished and classified into three categories of (1) bonds linking two nodes appearing both in the starting and product stages, (2) bonds linking two nodes appearing only in the starting stage and (3) bonds linking two nodes appearing only in the product stage, which comprises deleting said bonds (2) appearing only in the starting stage from the imaginary transition structure to obtain a structure of the product.
Claim 43
Dependent Claim
38 words
The method for processing information on chemical reactions as claimed in claim 34, wherein said imaginary transition structure is in a two-dimensional form and said structure of the product is obtained in the form of a structural formula.
Claim 44
Dependent Claim
26 words
The method for processing information on chemical reactions as claimed in claim 34, wherein said structure of the product is stored as information on chemical substances.
Claim 45
Dependent Claim
34 words
The method for processing information on chemical reactions as claimed in claim 34, wherein said structure of the product is recorded on a recording material or displayed on a screen of a display device.
Claim 46
Independent Claim
118 words
A method for processing information on chemical reactions of producing at least one product from at least one starting material, said information being given in the form of connection tables containing information on nodes and bonds linking two nodes which are distinguished between the starting material and the product topologically superposed thereon and classified into three categories of (1) bonds linking two nodes appearing both in the starting and product stages, (2) bonds linking two nodes appearing only in the starting stage and (3) bonds linking two nodes appearing only in the product stage, which comprises deleting said bonds (2) appearing only in the starting stage from the connection table to obtain a connection table of the product.
Claim 47
Independent Claim
118 words
A method for processing information on chemical reactions of producing at least one product from at least one starting material, said information being given in the form of connection tables containing information on nodes and bonds linking two nodes which are distinguished between the starting material and the product topologically superposed thereon and classified into three categories of (1) bonds linking two nodes appearing both in the starting and product stages, (2) bonds linking two nodes appearing only in the starting stage and (3) bonds linking two nodes appearing only in the product stage, which comprises deleting said bonds (2) appearing only in the starting stage from the connection table to obtain a connection table of the product.
Claim 48
Dependent Claim
87 words
The method for processing information on chemical reactions as claimed in claim 38, wherein said bonds linking two nodes in the connection tables are distinguished and denoted by a pair of integers (a,b), in which the integer a is bond multiplicity of the corresponding bond of the starting material and the integer b is difference in the bond multiplicity between the product and the starting material, and said method comprises operating the addition: a + b = c and substituting the pair of integers (a,b) with c.
Claim 49
Dependent Claim
25 words
The method for processing information on chemical reactions as claimed in claim 38, wherein said connection tables contain two-dimensional or three-dimensional coordinate of each node.
Claim 50
Dependent Claim
34 words
The method for processing information on chemical reactions as claimed in claim 38, wherein a structure of the product is further obtained in the form of a structural formula or in a three-dimensional form.
Claim 51
Dependent Claim
37 words
The method for processing information on chemical reactions as claimed in claim 38 or 41, wherein said connection table of the product and/or said structural formula or three-dimensional structure thereof is stored as information on chemical substances.
Claim 52
Independent Claim
166 words
A method for processing information on chemical reactions of producing at least one product from at least one starting material, said information being given in the form of imaginary transition structures in which the starting material is topologically superposed upon the product and bonds are distinguished and classified into three categories of (1) bonds linking two nodes appearing both in the starting and product stages, (2) bonds linking two nodes appearing only in the starting stage and (3) bonds linking two nodes appearing only in the product stage, which comprises: i) deleting said bonds (3) appearing only in the product stage from the imaginary transition structure to obtain a structure of the starting material; ii) deleting said bonds (2) appearing only in the starting stage from the imaginary transition structure to obtain a structure of the product material; and iii) recording said structures of the starting material and the product on the same recording material or displaying them on the same screen of a display device.
Claim 53
Independent Claim
166 words
A method for processing information on chemical reactions of producing at least one product from at least one starting material, said information being given in the form of imaginary transition structures in which the starting material is topologically superposed upon the product and bonds are distinguished and classified into three categories of (1) bonds linking two nodes appearing both in the starting and product stages, (2) bonds linking two nodes appearing only in the starting stage and (3) bonds linking two nodes appearing only in the product stage, which comprises: i) deleting said bonds (3) appearing only in the product stage from the imaginary transition structure to obtain a structure of the starting material; ii) deleting said bonds (2) appearing only in the starting stage from the imaginary transition structure to obtain a structure of the product material; and iii) recording said structures of the starting material and the product on the same recording material or displaying them on the same screen of a display device.
Claim 54
Dependent Claim
46 words
The method for processing information on chemical reactions as claimed in claim 43, wherein said imaginary transition structure is recorded together with the structures of the starting material and the product on the recording material or displayed together therewith on the screen of the display device.
References Cited (Backward Citations)
No citation records indexed.
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