CN115796120B - A chemical structural formula drawing method, keyboard and terminal - Google Patents

Abstract

The invention discloses a chemical structural formula drawing method, a keyboard and a terminal, which belong to the field of chemical structural formula construction. The method includes the following steps: numbering the input chemical structural site, and inputting the serial number through keys to determine the current editing site; Input the corresponding chemical structure of the current editing site until the input of the target chemical structure formula is achieved. The present invention uses the automatic numbering of chemical structure sites to realize the selection of editing sites. On this basis, only the corresponding chemical structure needs to be input to realize the input of the target compound, and the entire drawing process does not need to establish a link between the structural formula and the name. The mapping relationship is simple, convenient and fast, and can realize the drawing of chemical structures more comprehensively. Compared with the direct touch selection on the small interface, it is more accurate and direct, and it also avoids the cumbersome operation of dragging the mouse on the large interface.

Description

A chemical structure drawing method, keyboard and terminal

Technical Field

The invention relates to the field of chemical structure formula construction, and in particular to a chemical structure formula drawing method, a keyboard and a terminal.

Background Art

With the deepening of organic chemistry research, it is inevitable to edit chemical structures on PC or mobile terminals. At present, the common method of drawing chemical structures is to select the basic structural units with the mouse, and then delete and change the corresponding structural sites. However, since the molecular structures presented on different interactive pages vary in size, the chemical structures are relatively complex, and the editing interface is limited, adding chemical bonds to the corresponding sites often results in errors, that is, the corresponding sites cannot be accurately selected. This disadvantage is more obvious on mobile terminals.

In order to solve the above-mentioned problem of erroneous operation, the prior art proposes to establish a mapping relationship between a structural formula and its name. When editing a corresponding chemical structural formula, the corresponding chemical structural formula can be obtained by inputting the structural formula name. Although this aspect solves the problem of erroneous operation to a certain extent, this method cannot edit chemical structural formulas that are not included and mapped in its database, and the drawing of chemical structural formulas is very limited.

Summary of the invention

The purpose of the present invention is to overcome the problems of the prior art and provide a chemical structure drawing method, a keyboard and a terminal.

The object of the present invention is achieved through the following technical scheme: a method for drawing a chemical structure formula, the method comprising the following steps:

Number the input chemical structure sites, and enter the number by pressing the key to determine the current editing site;

Continue to input the corresponding chemical structure at the current editing site until the target chemical structure is input.

In one example, before numbering the input chemical structure sites, the method further includes:

Build a chemical structure input keyboard, which includes basic structure keys, element symbol keys, key keys and number keys.

In one example, the atom corresponding to the current editing site is highlighted.

In one example, the step of inputting the corresponding chemical structure at the current editing site further includes:

The partial chemical structure currently input is detected, and multiple reference chemical structural formulas with high similarity to the partial chemical structure currently input are given. The target chemical structural formula input is achieved by selecting the reference chemical structural formula.

In one example, the step of inputting the corresponding chemical structure at the current editing site further includes:

Detecting characteristic functional groups of a partial chemical structure currently input, and obtaining multiple reference chemical structural formulas matching the characteristic functional groups;

Classify the functional groups in the reference chemical structure formula and determine the final reference chemical structure formula category through the classification label selected by the user;

A corresponding reference chemical structure formula is selected from the final category reference chemical structure formulas to implement the target chemical structure formula input.

In one example, obtaining a reference chemical structure formula that matches the partial chemical structure currently input also includes:

The sorting of multiple reference chemical structure formulas is modified based on the user's input habits.

In one example, the input of the chemical structure also includes:

The chemical structure formula in the uploaded image is recognized and converted into an editable chemical structure, thereby realizing the input of the chemical structure.

It should be further explained that the technical features corresponding to the various examples of the above method can be combined or replaced with each other to form a new technical solution.

The present invention also includes a chemical structure drawing keyboard, which has the same inventive concept as the chemical structure drawing method formed by any one of the above examples or a combination of multiple examples, and the keyboard includes a basic structure key, an element symbol key, a key key and a number key;

After the input chemical structure sites are numbered, select the corresponding numeric key and enter the number to determine the current editing site;

By selecting the basic structure button and/or the element symbol button and/or the key button and/or the number button, continue to input the corresponding structure at the current editing site until the target chemical structure formula is input.

In one example, the element symbol buttons include common element symbol buttons and a drop-down button, and selecting the drop-down button displays the corresponding buttons of the entire periodic table.

It should be further explained that the technical features corresponding to the above keyboard examples can be combined or replaced with each other to form a new technical solution.

The present invention also includes a storage medium on which computer instructions are stored. When the computer instructions are executed, the steps of the chemical structure drawing method formed by any one or more of the above examples are executed.

The present invention also includes a terminal, including a memory and a processor, wherein the memory stores computer instructions that can be executed on the processor, and when the processor executes the computer instructions, the steps of the chemical structure drawing method formed by any one or more of the above examples are executed.

Compared with the prior art, the present invention has the following beneficial effects:

1. Automatically number the chemical structure sites to select the editing sites. On this basis, you only need to continue to enter the corresponding chemical structure to input the target compound. The entire drawing process does not require the establishment of a mapping relationship between the structure and the name. It is simple, convenient and fast, and can achieve a more comprehensive drawing of chemical structures. Compared with direct touch selection in a small interface, it is more accurate and direct, and also avoids the cumbersomeness of mouse dragging operations in a large interface.

2. By generating a reference chemical structure that is highly similar to the current input chemical structure, it can help users quickly draw the target chemical structure to reduce the drawing time.

3. By correcting the sorting of multiple reference chemical structures based on the user's input habits, reference results that better match the partial chemical structure currently input can be obtained, making it easier for users to quickly select the target chemical structure.

4. By matching the characteristic functional groups of the partial chemical structure currently input, more reference chemical structural formulas are obtained. At this time, by classifying the reference chemical structural formulas, the number of subsequent matches between the partial chemical structure currently input and the chemical structure in the data set is greatly reduced, so as to quickly and accurately obtain the final reference chemical structural formula with a high degree of match with the partial chemical structure currently input, helping users to quickly draw the target chemical structural formula.

5. It supports image input, and the chemical structure obtained based on the image input is editable, and can correct the incorrectly recognized structure, while saving input time and ensuring the accuracy of the input chemical structure.

BRIEF DESCRIPTION OF THE DRAWINGS

The specific implementation methods of the present invention are further described in detail below in conjunction with the accompanying drawings. The accompanying drawings described herein are used to provide a further understanding of the present application and constitute a part of the present application. The same reference numerals are used in these drawings to represent the same or similar parts. The schematic embodiments of the present application and their descriptions are used to explain the present application and do not constitute improper limitations on the present application.

FIG1 is a schematic diagram of a keyboard in an example of the present invention;

FIG2 is a flow chart of an example method of the present invention;

FIG3 is a flow chart of a method of a preferred embodiment of the present invention;

FIG4 is a schematic diagram of the execution process of steps S1′-S6′ in an example of the present invention;

FIG5 is a schematic diagram of a chemical structure formula in the input interface in step S1′′ in an example of the present invention;

FIG6 is a schematic diagram of a chemical structure formula in an association interface in step S1′′ in an example of the present invention;

FIG7 is a schematic diagram of a chemical structure formula in the input interface in step S2′′ in an example of the present invention;

FIG8 is a schematic diagram of a chemical structure formula in the association interface in step S2′ in an example of the present invention.

DETAILED DESCRIPTION

The technical solution of the present invention is described clearly and completely below in conjunction with the accompanying drawings. Obviously, the described embodiments are only part of the embodiments of the present invention, not all of the embodiments. Based on the embodiments of the present invention, all other embodiments obtained by ordinary technicians in this field without creative work are within the scope of protection of the present invention.

In the description of the present invention, it should be noted that the directions or positional relationships indicated by "center", "up", "down", "left", "right", "vertical", "horizontal", "inside", "outside", etc. are directions or positional relationships based on the drawings, which are only for the convenience of describing the present invention and simplifying the description, and do not indicate or imply that the device or element referred to must have a specific orientation, be constructed and operated in a specific orientation, and therefore cannot be understood as limiting the present invention. In addition, the use of ordinal numbers (e.g., "first and second", "first to fourth", etc.) is to distinguish objects, and is not limited to the order, and cannot be understood as indicating or implying relative importance.

In the description of the present invention, it should be noted that, unless otherwise clearly specified and limited, "installation", "connection" and "connection" should be understood in a broad sense, for example, it can be a fixed connection, a detachable connection, or an integral connection; it can be a mechanical connection or an electrical connection; it can be a direct connection, or it can be indirectly connected through an intermediate medium, or it can be the internal communication of two components. For ordinary technicians in this field, the specific meanings of the above terms in the present invention can be understood according to specific circumstances.

In addition, the technical features involved in the different embodiments of the present invention described below can be combined with each other as long as they do not conflict with each other.

In one example, a chemical structure drawing method is applicable to drawing chemical structure formulas on a PC or mobile terminal, and the method specifically includes the following steps:

Number the input chemical structure sites, and enter the number by pressing the key to determine the current editing site;

Continue to input the corresponding chemical structure by pressing keys at the current editing site until the target chemical structure is input.

Among them, in the process of drawing the chemical structure, the basic structure such as the benzene ring is generally input first, and it is preferred to perform digital numbering on the chemical structure site input each time. Of course, other numbering forms such as letter numbering can also be used. The site indicates the position where the current chemical structure can continue to connect to other groups. For example, the benzene ring has 6 sites, and each site can connect to other groups. When each site is numbered, the user can select the corresponding site as the current editing site by selecting the corresponding numbered site, and further draw the chemical structure. It should be noted that each site also has a corresponding mapping relationship with its number, so when the user selects the corresponding number, the corresponding site can be selected to achieve the drawing of the chemical structure.

In this example, the automatic numbering of chemical structure sites is used to realize the selection of editing sites. On this basis, the input of the target compound can be realized by simply re-entering the corresponding chemical structure. The entire drawing process does not require the establishment of a mapping relationship between the structural formula and the name. It is simple, convenient and fast, and can realize the drawing of chemical structures more comprehensively. Compared with direct touch selection in a small interface, it is more accurate and direct, and also avoids the tediousness of mouse dragging operations in a large interface.

In one example, before numbering the input chemical structure sites, the following is also included:

Construct a chemical structure input keyboard, which includes basic structure keys, element symbol keys, key keys, number keys and other keys. Specifically, as shown in Figure 1, the basic structure is the basic structure for drawing chemical structures, such as benzene rings, and the basic structure key is a key mapped to the basic structure; the element symbol is the corresponding symbol of all elements in the periodic table, and the element symbol key is a key mapped to the element symbol; the bond is a bond formed by bonding methods such as carbon-carbon bonds and carbon-hydrogen bonds, and the key key is a key mapped to the corresponding bond; the number key is used to select the site, and when the number is encoded in the form of letters, the number key can be changed to a letter key, and the number key is a key mapped to each number; other keys also include the site multi-selection key shift, function keys (such as generating multiple carbon atoms), and so on.

In this example, the editing input of the chemical structure queries the coding information of the input chemical group and converts it into the corresponding group structure, which is then fed back to the drawing interface (input interface). Specifically, in this example, the simplified molecular linear input specification SMILES is used to realize the encoding of chemicals, that is, the specification of the molecular structure is clearly described through an ASCII string, and the compound can be converted into a compound structure through the SMILES linear symbol. As shown in Figure 2, a chemical group collection library is first established and the corresponding codes are stored. By assigning a mapping relationship between all chemical group ID numbers and chemical group codes, for example, when the user triggers the benzene ring button, the ID associated with the button queries the code of the benzene ring in the chemical group collection library and then converts it into the corresponding group structure and feeds back to the drawing interface. Finally, the drawing of any chemical structure can be achieved through the combination of the above-mentioned buttons.

In one example, when a number is entered to determine the current editing site, the atom corresponding to the selected site is highlighted, and the last added atom is the highlighted atom by default. If the user needs to continue to draw a new group at the site, there is no need to select the site again using the number keys, thus avoiding repeated site selection operations.

In one example, the process of drawing the current chemical structure also includes:

The partial chemical structure currently input is detected, and multiple reference chemical formulas with high chemical structure similarity are matched to the partial chemical structure currently input in the database. Specifically, similarity calculation can be performed through topological fingerprint Tanimoto, and multiple reference chemical formulas are preferably arranged from high to low according to the similarity with the partial chemical structure currently input. Since the user knows the chemical formula of the target compound, if the reference chemical formula includes the target chemical formula at this time, the user directly selects the reference chemical formula to input the target chemical formula, thereby realizing the rapid drawing of the target chemical formula to reduce the drawing time, which is especially suitable for the drawing scenarios of complex molecules.

In one example, due to the large number of chemical compounds, it is difficult to quickly "predict" the target compound when drawing the structure. In order to reduce the drawing time of the chemical structure, in this example, when entering the corresponding chemical structure at the current editing site, it also includes:

Detect the characteristic functional groups of the partial chemical structure currently input, and obtain multiple reference chemical structural formulas matching the characteristic functional groups; specifically, match the group codes in the established chemical group collection library with the partial chemical structure codes currently input in sequence, and mark the molecules containing the functional groups of the partial chemical structure currently input, and obtain multiple reference chemical structural formulas matching the characteristic functional groups.

The functional groups in the reference chemical formula are classified, and the final reference chemical formula category is determined by the classification label selected by the user. Finally, the target chemical formula input is realized by selecting the corresponding reference chemical formula from the final category reference chemical formula. Specifically, the molecular collection library is classified according to the functional groups. The compound classification functional group labels include carboxyl, sulfonic acid, lipid, acyl halide, amide, cyano, aldehyde, keto carbonyl, hydroxyl, sulfhydryl, amino, triple bond, double bond, alkoxy, halogen, and nitro. When the user selects one or more labels, the compounds containing the selected labels form a new subset, and then the range of reference compounds is narrowed by the functional group labels, thereby greatly reducing the number of matches between the partial chemical structure currently input and the chemical structure in the data set, so as to quickly and accurately associate the final reference chemical formula with a high degree of match with the partial chemical structure currently input, and help users quickly draw the target chemical formula.

Preferably, after determining the final reference chemical structure category (one category or multiple categories), multiple final reference chemical structures are matched with the current input partial chemical structure for similarity, and are sorted from high to low according to the similarity, so as to recommend the most likely chemical structure to the user. In this example, according to the topological fingerprint Tanimoto similarity method, the similarity between the compounds in the subset and the structure currently drawn by the user is calculated in turn, and the similarities are arranged in descending order according to the similarity, and the top three are selected for recommendation.

In one example, when matching a plurality of reference chemical structure formulas with high similarity for the currently input partial chemical structure, the method further includes:

The sorting of multiple reference chemical formulas is modified in combination with the user's input habits. If the reference chemical formulas include compound formulas that are frequently input by the user, the frequently input compound formula is given a higher weight so that it is placed at the top of the recommended structure. Alternatively, the user's research direction can be clarified based on the compound formulas that the user has already input, and the recommendation weight of the reference chemical formula can be adjusted. In this example, the sorting of multiple reference chemical formulas is modified in combination with the user's input habits, so that a reference result that better matches the partial chemical structure currently input can be obtained, which is convenient for the user to quickly select the target chemical formula.

In one example, drawing a chemical structure is a multi-step continuous process. If the chemical structure drawn by the user in the second step is a substructure of the first association result (multiple reference chemical structures generated based on the chemical structure input in the first step), then the second association result should not have repeated structures, and the next batch of reference chemical structures should be automatically displayed.

In one example, the input of the chemical structure also includes:

The chemical structure formula in the uploaded image is recognized and converted into an editable chemical structure, thereby realizing the input of the chemical structure. Specifically, OSRA (Optical Structure Recognition Program) can be used to convert the chemical structure formula in the image into an editable format such as SMILES. The present invention supports image input, which can be used as original input or as intermediate input, and the chemical structure formula obtained based on the image input is editable, and the structure that is misidentified can be corrected, which saves input time and ensures the accuracy of the input chemical structure.

In summary, a chemical structure drawing method of the present invention can also introduce an association function, that is, generating a reference chemical structure for a partial chemical structure currently input, wherein the reference chemical structure contains a target chemical structure. At this time, the above examples are combined, as shown in FIG3 , and a preferred example of the present invention includes the following steps:

S0: Construct a chemical structure input keyboard;

S1: Identify the chemical structure in the uploaded image and convert it into an editable chemical structure; or input the corresponding chemical structure through the keyboard;

S2: Number the input chemical structure sites, and determine the current editing site by inputting the number, and the atom corresponding to the current editing site is highlighted;

Detecting the partial chemical structure currently input, and providing multiple reference chemical structural formulas with high similarity to the partial chemical structure currently input, or detecting the characteristic functional groups of the partial chemical structure currently input, and obtaining multiple reference chemical structural formulas matching the characteristic functional groups, classifying the functional groups in the reference chemical structural formulas, and determining the final reference chemical structural formula category through the classification label selected by the user; at the same time, correcting the sorting of the multiple reference chemical structural formulas in combination with the user's input habits, and adjusting the sorting position of the reference chemical structural formulas;

S3: Continue to input the corresponding chemical structure at the current editing site, and the association interface gives the associated reference chemical structure formula (association result) based on the currently input chemical structure; if the reference chemical structure formula has given the target chemical structure formula, select the target chemical structure formula to input the target chemical structure formula; if the reference chemical structure formula does not give the target chemical structure formula, continue to input the chemical structure through the keyboard until the target chemical structure formula is drawn or the reference chemical structure formula gives the target chemical structure formula.

To illustrate the technical concept of the present invention, the specific implementation steps of the chemical structure drawing method without introducing the associative function and the chemical structure drawing method with introducing the associative function are described through an embodiment.

First, the above examples are combined to obtain an example of a chemical structure drawing method without introducing the association function. In this case, the target molecular formula is:

；

;

Correspondingly, the construction of the chemical structure formula at this time includes the following steps:

按键，所有原子系统自动标号，此时得到的化学结构式为：S1': Click on the benzene ring

Press the button, all atoms are automatically labeled, and the chemical structure is:

；

;

”，此时出现弹窗，用户输入2并确定，以在位点5增加两个碳原子，此时得到：S2': Input "5", "

", a pop-up window appears, the user enters 2 and confirms to add two carbon atoms at site 5, and now we get:

；

;

” ，得到：S3': Input "7", "

" ,get:

；

;

”，得到：S4': Enter "4", "

",get:

；

;

”，得到：S5': Enter "

",get:

；

;

S6’: Input “9” and “O” in sequence to get the target structure:

。

.

In summary, the execution process of steps S1'-S6' is shown in Figure 4. Referring to Figure 4, it can be seen that in the process of drawing chemical structure formulas without introducing the association function, at least 6 steps are required to draw the target molecular formula of the present invention. Based on the drawing method of the present invention, the compound structure formula can be accurately drawn, and the corresponding groups are input by keystrokes during the entire drawing process without any misoperation, and new compounds not stored in the database can be drawn.

When the method of the present invention introduces the associative function, drawing the same target molecular formula includes the following steps:

按键，此时输入界面的化学结构式如图5所示，联想界面内显示的化学结构式如图6所示；S1'': Click on the benzene ring

Press the key, the chemical structure formula of the input interface is shown in FIG5 , and the chemical structure formula displayed in the association interface is shown in FIG6 ;

S2'': add two carbon atoms at site 5. At this time, the chemical structure formula of the input interface is shown in FIG7 , and the chemical structure formula displayed in the association interface is shown in FIG8 ;

Referring to FIG8 , it can be seen that the target chemical structure can be drawn by selecting the second reference chemical structure. Compared with the structure drawing method without the introduction of the association function, the introduction of the association function saves 4 steps, is more convenient and faster, and greatly saves time and cost.

”，自动展示下批次联想结果。本示例中，一批次联想结果包括3个参考化学结构式。It should be further explained that after adding two carbon atoms at position 5 in step S2'', the currently input chemical structure is a substructure of the first association result. At this time, the first association result is no longer displayed by default because the target chemical structure does not exist in the first association result (if it exists, the user has selected it and completed the drawing of the target chemical structure). Based on the currently input structure "

”, and the next batch of association results will be automatically displayed. In this example, a batch of association results includes 3 reference chemical structure formulas.

The present invention provides a chemical structure drawing keyboard, which has the same inventive concept as the above-mentioned chemical structure drawing method. The keyboard includes a basic structure key, an element symbol key, a key key, a number key and other keys. As shown in Figure 1, the basic structure is the basic structure for drawing a chemical structure, such as a benzene ring, and the basic structure key is a key mapped to the basic structure; the element symbol is the corresponding symbol of all elements in the periodic table, and the element symbol key is a key mapped to the element symbol; the bond is a bond formed by a bonding method such as a carbon-carbon bond and a carbon-hydrogen bond, and the key key is a key mapped to the bond; the number key is used to select a site, and when the number is encoded in the form of letters, the number key can be changed to a letter key, and the number key is a key mapped to each number; other keys also include a site multiple selection key shift, a function key (such as by generating multiple carbon atoms), and the like. At this time, the user can realize the drawing of the chemical structure by pressing a key, which includes the following steps:

When the user inputs a base structure or obtains an editable chemical structure through image recognition, the currently input base structure site is automatically numbered. At this time, the user selects the corresponding number key and then enters the number to determine the current editing site;

The user continues to input the corresponding structure at the current editing site by selecting the basic structure button and/or the element symbol button and/or the key button and/or the number button and/or other buttons until the target chemical structure formula is input.

In this example, the editing input of the chemical structure queries the coding information of the input chemical group and converts it into the corresponding group structure, which is then fed back to the drawing interface. Specifically, in this example, the simplified molecular linear input specification SMILES is used to realize the encoding of chemicals, that is, the specification of the molecular structure is clearly described through an ASCII string, and the compound can be converted into a compound structure through the SMILES linear symbol. First, a chemical group collection library is established and the corresponding codes are stored. By assigning a mapping relationship between all chemical group ID numbers and chemical group codes, such as when the user triggers the benzene ring button, the ID associated with the button queries the code of the benzene ring in the chemical group collection library and then converts it into the corresponding group structure and feeds back to the drawing interface. Finally, the drawing of any chemical structure can be achieved through the combination of the above-mentioned buttons.

In one example, the element symbol buttons include common element symbol buttons and a drop-down button. Selecting the drop-down button displays the buttons corresponding to the entire periodic table. As shown in FIG1 , the common element symbol buttons are H button, N button, etc. Clicking the drop-down button “…” displays the buttons in the form of the entire periodic table, as shown in Table 1:

Table 1 Keyboard table in the form of periodic table

H Li Be B C N O F Na Mg Al Si P S Cl K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br R Sr Y Zr Nb Mo Tc Ru R Pd Ag Cd In Sn Sb Te I Cs Ba La Hf Ta W Re Os Ir Pt Au Hg TI Pb Bi Po At Fr Ra Ac R Db S Bh H Mt Ds R Cn Ce Pr Nd Pm Sm Eu G Tb Dy Ho Er Tm Yb Lu Th Pa U Np Pu Am Cm B Cf Es Fm Md No L

By using the above-mentioned buttons displayed in the form of a periodic table, the integrity of the element symbols can be ensured to achieve the drawing of all structural formulas.

The present application also includes a storage medium, which has the same inventive concept as a chemical structure drawing method composed of any one or more of the above examples, and stores computer instructions thereon, which execute the steps of the above chemical structure drawing method when executed.

Based on this understanding, the technical solution of this embodiment, or the part that contributes to the prior art, or the part of the technical solution, can be embodied in the form of a software product, which is stored in a storage medium and includes several instructions for enabling a computer device (which can be a personal computer, a server, or a network device, etc.) to perform all or part of the steps of the method described in each embodiment of the present invention. The aforementioned storage medium includes: U disk, mobile hard disk, read-only memory (ROM), random access memory (RAM), disk or optical disk, etc., various media that can store program codes.

The present application also includes a terminal, which has the same inventive concept as a chemical structure drawing method composed of any one or more of the above examples, including a memory and a processor, wherein the memory stores computer instructions that can be run on the processor, and the processor executes the steps of the above chemical structure drawing method when running the computer instructions. The processor can be a single-core or multi-core central processing unit or a specific integrated circuit, or one or more integrated circuits configured to implement the present invention.

Each functional unit in the embodiment provided by the present invention may be integrated into one processing unit, or each unit may exist physically separately, or two or more units may be integrated into one unit.

The above specific implementation methods are detailed descriptions of the present invention. It cannot be determined that the specific implementation methods of the present invention are limited to these descriptions. For ordinary technicians in the technical field to which the present invention belongs, several simple deductions and substitutions can be made without departing from the concept of the present invention, which should be regarded as belonging to the protection scope of the present invention.

Claims (9)

1. A method for drawing a chemical structure, characterized in that it comprises the following steps: Number the input chemical structure sites, and enter the number by pressing the key to determine the current editing site; Continue to input the corresponding chemical structure at the current editing site until the target chemical structure is input; The inputting of the corresponding chemical structure at the current editing site also includes: Detecting characteristic functional groups of the currently input chemical structure and obtaining multiple reference chemical structural formulas matching the characteristic functional groups; Classify the functional groups in the reference chemical structure formula, and determine the category of the final reference chemical structure formula through the selected classification label; A corresponding reference chemical structure formula is selected from the final category reference chemical structure formulas to implement the target chemical structure formula input. 2. A method for drawing a chemical structure according to claim 1, characterized in that: before numbering the input chemical structure sites, the method further comprises: Build a chemical structure input keyboard, which includes basic structure keys, element symbol keys, key keys and number keys. 3. A chemical structure drawing method according to claim 1, characterized in that: the atom corresponding to the current editing site is highlighted. 4. A method for drawing a chemical structure according to claim 1, characterized in that: when inputting the corresponding chemical structure at the current editing site, it also includes: The chemical structure currently input is detected, and multiple reference chemical structural formulas with high similarity to the chemical structure currently input are given. The target chemical structural formula input is achieved by selecting the reference chemical structural formula. 5. The method for drawing a chemical structure formula according to claim 1, characterized in that when obtaining a reference chemical structure formula matching the currently input chemical structure, it also includes: The sorting of multiple reference chemical structure formulas is modified based on the user's input habits. 6. A method for drawing a chemical structure according to claim 1, characterized in that: the input of the chemical structure further comprises: The chemical structure formula in the uploaded image is recognized and converted into an editable chemical structure, thereby realizing the input of the chemical structure. 7. A chemical structure drawing keyboard, characterized by comprising basic structure keys, element symbol keys, key keys and number keys; After the input chemical structure sites are numbered, select the corresponding numeric key and enter the number to determine the current editing site; By selecting the basic structure button and/or the element symbol button and/or the key button and/or the number button, continue to input the corresponding structure at the current editing site until the target chemical structure formula is input. 8. A chemical structure drawing keyboard according to claim 7, characterized in that: the element symbol keys include common element symbol keys and a drop-down key, and selecting the drop-down key displays the corresponding keys of the entire periodic table. 9. A terminal comprising a memory and a processor, wherein the memory stores computer instructions that can be executed on the processor, wherein the processor executes the steps of a chemical structure drawing method according to any one of claims 1 to 6 when executing the computer instructions.

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