CN105628885A - Multi-source data based Chinese patent medicine analysis method - Google Patents
Multi-source data based Chinese patent medicine analysis method Download PDFInfo
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- CN105628885A CN105628885A CN201610053221.4A CN201610053221A CN105628885A CN 105628885 A CN105628885 A CN 105628885A CN 201610053221 A CN201610053221 A CN 201610053221A CN 105628885 A CN105628885 A CN 105628885A
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- G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
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Abstract
The invention discloses a multi-source data based Chinese patent medicine analysis method. The method comprises the steps of: constructing an incompatibility database and a traditional Chinese medicine component database, and then performing Chinese patent medicine analysis: (1) inputting the formula of the Chinese patent medicine to be detected, and performing query of the incompatibility of the formula; (2) performing effectiveness analysis to the traditional Chinese medicine component to be detected, the traditional Chinese medicine composition to be detected and the using amount of the traditional Chinese medicine to be detected based on the traditional Chinese medicine component database; (3) performing comprehensive evaluation based on three analysis results in the step (2), and outputting an evaluation result. The method can improve the initial screening mechanism efficiency when the formula of a new medicine is selected, and also can perform the effectiveness evaluation analysis to Chinese patent medicine products in the market.
Description
Technical field
The present invention relates to Chinese medicine analysis field, particularly relate to a kind of Analysis of Traditional Chinese Patent Medicine method based on multi-source data.
Background technology
There is substantial amounts of Chinese patent medicine product in existing market, a lot of products are unreasonable and become " corpse Chinese patent medicine " due to unsatisfactory curative effect or formula. Big data analysis is utilized to become face to be made directly checking for the drug regimen of Chinese patent medicine from data, it is possible to the Chinese patent medicine formula of a lot of mistake to be found in time, saves social resources. Some verification modes based on clinical drug trials have been had in this field, as:
In patent " screening technique of a kind of effective medicinal flavors of Chinese herbal compounds ", by compound Chinese patent medicine according to pathogenesis, split into little compound recipe three groups. Correspondence often organizes medical material, and application method of serum pharmacology prepares Pharmacological serum respectively, and aids drug, in human body metabolism's process, by prescription is verified by the measurement result of the gene of cytokine and relevant enzymes, albumen, filters out effective medical material;
In patent " method of a kind of Chinese medicine compound secondary new exploitation ", comprise the following steps: (1) selects ancient prescription or the proved recipe of traditional Chinese medical science life-time service, nature and flavor according to its Chinese medicine, experience and disease treatment situation in conjunction with long-term clinical application, carry out ingredient and compatibility analysis, and in conjunction with the theory of Chinese medical science of disease, medical material is merged and tears open and subtract, it is achieved recognizing again compound recipe in integral medicinal sheet material layers time; (2) each medical material is carried out chemical substance fundamental analysis, and utilize finger printing comprehensively to analyze material composition in medical material and medicinal material composition, compound recipe component group is carried out component discriminating and classification; (3) by the fingerprint map analyzing result of step (2), and the pharmacological results of different medical material and compositions thereof, theoretical in conjunction with modern Chinese medicine medication, the basis of former side's potentiation or attenuation is being lifted up the flavour of a drug compatible combination made new advances; (4) new drug compound recipe is carried out fingerprint map analyzing and chemical composition is identified, and determine the production technology of new drug compound recipe; (5) using uniform Design conceptual design prescription proportioning, carry out relevant drug effect pharmacological evaluation respectively, relatively the experimental result of each prescription, finally determines the optimum proportioning of new drug compound recipe prescription.
Said method is all according to clinical trial or pharmacological testing, is analyzed for medicine constituent, thus producing the formula that medicine is new. The present invention is by being analyzed magnanimity data with existing, directly judge that this medicine claims the effectiveness of effect for it in data plane, one during formula initial Filtering system raising efficiency can be selected, it is also possible to efficiency assessment analysis is carried out for the Chinese patent medicine product in market as new drug.
Summary of the invention
To achieve these goals, the present invention proposes a kind of Analysis of Traditional Chinese Patent Medicine method based on multi-source data, it is achieved that the efficiency assessment analysis of Chinese patent medicine product.
A kind of Analysis of Traditional Chinese Patent Medicine method based on multi-source data that the present invention proposes, including database sharing and Analysis of Traditional Chinese Patent Medicine two large divisions;
Database sharing:
Incompatibility data base is built based on Chinese patent medicine incompatibility table; Prescription and/or case based on effective Chinese patent medicine build Chinese medicine composition compositional data storehouse;
Wherein, Chinese medicine composition compositional data library storage information include Chinese patent medicine composition medical material and consumption, effect of Chinese patent medicine, Chinese patent medicine the effect for symptom, medical material;
Analysis of Traditional Chinese Patent Medicine comprises the following steps:
Step 1, inputs the formula of Chinese patent medicine to be checked, carries out the incompatibility inquiry of this formula based on incompatibility data base's information, whether there is incompatibility in the formula of checking Chinese patent medicine, then performs step 4 in this way, as otherwise performed step 2; The formula of described Chinese patent medicine to be checked include the medical material of Chinese patent medicine to be checked and consumption, effect of Chinese patent medicine to be checked, Chinese patent medicine to be checked for symptom;
Step 2, forms compositional data storehouse based on described Chinese medicine and carries out Chinese medicine ingredients efficiency analysis and Chinese medicine composition efficiency analysis, obtain Chinese medicine ingredients effectiveness numerical value to be checked and Chinese medicine composition effectiveness numerical value to be checked;
Described Chinese medicine ingredients efficiency analysis method is: form the medical material of identical with the corresponding symptom of Chinese patent medicine to be checked in compositional data storehouse and/or that effect is identical Chinese patent medicine based on Chinese medicine, and effect of the medical material of Chinese patent medicine to be checked, select effective medical material statistical magnitude in Chinese patent medicine to be checked, then carry out ratio calculation with the medical material total amount of Chinese patent medicine to be checked and draw Chinese medicine ingredients effectiveness numerical value to be checked;
Described Chinese medicine composition efficiency analysis method is: undertaken the medical material of Chinese patent medicine to be checked reconfiguring acquisition medical material combination of sets Q; The effective contrast Chinese patent medicine forming screening in compositional data storehouse relevant to Chinese patent medicine effect to be checked at Chinese medicine generates contrast Chinese patent medicine combination of sets, and adopt APRORI algorithm to excavate all high frequency medical material combination producing high frequency medical material combination of sets, medical material combination of sets Q respectively with contrast Chinese patent medicine combination of sets and high frequency medical material combination of sets comparison, select identical medical material and combine and add up medical material number of combinations, then the sum of the identical medical material number of combinations after statistics with the combination of medical material combination of sets Q Chinese crude drug is carried out ratio calculation, draw Chinese medicine composition effectiveness numerical value to be checked;
Step 3, form compositional data storehouse based on described Chinese medicine and extract composition medical material and the consumption of all Chinese patent medicines similar with effect of described Chinese patent medicine to be checked, consumption statistics is carried out for every medical material of composition simply, consumption corresponding to every medical material simply of described Chinese patent medicine to be checked is contrasted with corresponding statistical data, the effectiveness numerical value of the every medical material consumption simply of output, adopts the effectiveness numerical value of the medical material consumption of the weighted addition described Chinese patent medicine to be checked of generation;
Step 4, utilize described Chinese medicine ingredients effectiveness numerical value, described Chinese medicine composition effectiveness numerical value, described medical material consumption effectiveness numerical computations draw comprehensive assessment numerical value.
Preferably, described Chinese medicine ingredients efficiency analysis method is: the medical material that N kind medical material in Chinese patent medicine formula to be checked forms the contrast Chinese patent medicine that corresponding symptom in compositional data storehouse is identical and/or effect is identical with Chinese medicine compares, and filters out the formula Chinese crude drug of the Chinese patent medicine to be checked occurred in the medical material of all contrast Chinese patent medicines and adds up medical material number N1; The effect remaining effect and Chinese patent medicine to be checked that (N-N1) plants medical material in Chinese patent medicine formula to be checked is contrasted, the number of the medical material approximate with effect of Chinese patent medicine to be checked is designated as N2, then Chinese medicine ingredients effectiveness numerical value to be checked is (N1+N2)/N.
Preferably, described Chinese medicine composition efficiency analysis method is: being reconfigured by the medical material of Chinese patent medicine to be checked, the medical material combination of sets after reconfiguring is expressed as Q={Q1, Q2����QP, whereinFor obtaining the number of combination, k is the medical material number participating in selecting, k��4; What in Chinese medicine composition compositional data storehouse, screening was relevant to Chinese patent medicine effect to be checked effectively contrasts Chinese patent medicine, each medical material combination in newly-generated medical material combination of sets Q is compared with each medical material combination contrasting Chinese patent medicine screened respectively, filtering out identical medical material and combine and add up medical material number of combinations P1, other medical material combination in medical material combination of sets Q constitutes new medical material combination of sets Q '; APRORI algorithm is adopted to excavate all high frequency medical materials combination (i.e. frequent item set) based on all contrast Chinese patent medicines filtered out, constitute high frequency medical material combination of sets, each medical material combination in medical material combination of sets Q ' is compared with each medical material combination in high frequency medical material combination of sets respectively, filters out identical medical material and combine and add up medical material number of combinations P2; Then the effectiveness numerical value of Chinese medicine composition to be checked is (P1+P2)/P.
Preferably, in described Chinese medicine composition compositional data storehouse, information adopts the mode of semantic network to indicate, its body is Chinese patent medicine, medical material, effect and symptom, and semantic relation is defined as the Chinese patent medicine required for the targeted symptom of the composition medical material of Chinese patent medicine, effect of Chinese patent medicine, the Chinese patent medicine corresponding to symptom, effect of medical material, effect of Chinese patent medicine, the medical material corresponding to effect, effect, symptom and the effect required for symptom.
Preferably, the effectiveness numerical value S ' of every medical material consumption simply of described Chinese patent medicine to be checkednComputing formula be
Wherein Dcur is the dosage of the n-th taste medical material of Chinese patent medicine to be checked, and Dmax is the n-th taste medical material maximum using dosage in statistical result, and Dmin is the n-th taste medical material minimum using dosage in statistical result.
Preferably, the computing formula of the comprehensive assessment numerical value Score described in step 4 is
Score=W1*S1+W2*S2+W3*S3
Wherein W1, W2, W3 are weight values, the effectiveness numerical value of the medical material consumption of S1 is Chinese medicine ingredients effectiveness numerical value to be checked, S2 to be Chinese medicine composition effectiveness numerical value to be checked, S3 be Chinese patent medicine to be checked.
Preferably, described weight values W1, W2, W3 is trained obtaining by sample.
Preferably, described weight values W1, W2, W3 adopts linear classifier to be trained sample obtaining.
The present invention is by being analyzed magnanimity data with existing, directly judge that this medicine claims the effectiveness of effect for it in data plane, one during formula initial Filtering system raising efficiency can be selected, it is also possible to efficiency assessment analysis is carried out for the Chinese patent medicine product in market as new drug.
Accompanying drawing explanation
Fig. 1 is the present invention system principle diagram based on the Analysis of Traditional Chinese Patent Medicine method of multi-source data;
Fig. 2 is that in Chinese medicine of the present invention composition compositional data storehouse, information adopts semantic network schematic diagram;
Fig. 3 is Chinese medicine ingredients efficiency analysis schematic diagram of the present invention;
Detailed description of the invention
For making the object, technical solutions and advantages of the present invention clearly understand, below in conjunction with specific embodiment, and with reference to accompanying drawing, the present invention is described in further detail.
In conjunction with Fig. 1, the Analysis of Traditional Chinese Patent Medicine method based on multi-source data provided by the invention being described in detail, the method obtains main contents and includes: include database sharing and Analysis of Traditional Chinese Patent Medicine two large divisions;
Database sharing:
Incompatibility data base is built based on Chinese patent medicine incompatibility table; Prescription and/or case based on effective Chinese patent medicine build Chinese medicine composition compositional data storehouse;
In Chinese medicine composition compositional data storehouse described as shown in Figure 2, information adopts the mode of semantic network to indicate, its body is Chinese patent medicine, medical material, effect and symptom, semantic relation is defined as the composition medical material of Chinese patent medicine, effect of Chinese patent medicine, Chinese patent medicine for symptom, effect of medical material, Chinese patent medicine corresponding to effect, medical material corresponding to effect, the symptom that effect is targeted, Chinese patent medicine required for symptom and the effect required for symptom, reasoning the composition medical material of the Chinese patent medicine corresponding to effect can be obtained based on this network, the composition medical material of the Chinese patent medicine required for symptom, the logical relations such as the medical material corresponding to effect required for symptom.
Analysis of Traditional Chinese Patent Medicine comprises the following steps:
Step 1, inputs the formula of Chinese patent medicine to be checked, carries out the incompatibility inquiry of this formula based on incompatibility data base's information, whether there is incompatibility in the formula of checking Chinese patent medicine, then performs step 4 in this way, as otherwise performed step 2; The formula of described Chinese patent medicine to be checked include the medical material of Chinese patent medicine to be checked and consumption, effect of Chinese patent medicine to be checked, Chinese patent medicine to be checked for symptom;
Step 2, forms compositional data storehouse based on Chinese medicine and carries out Chinese medicine ingredients efficiency analysis and Chinese medicine composition efficiency analysis, obtain Chinese medicine ingredients effectiveness numerical value to be checked and Chinese medicine composition effectiveness numerical value to be checked;
As shown in Figure 3, described Chinese medicine ingredients efficiency analysis method is: the medical material that N kind medical material in Chinese patent medicine formula to be checked forms the contrast Chinese patent medicine that corresponding symptom in compositional data storehouse is identical and/or effect is identical with Chinese medicine compares, and filters out the formula Chinese crude drug of the Chinese patent medicine to be checked occurred in the medical material of all contrast Chinese patent medicines and adds up medical material number N1; The effect remaining effect and Chinese patent medicine to be checked that (N-N1) plants medical material in Chinese patent medicine formula to be checked is contrasted, the number of the medical material approximate with effect of Chinese patent medicine to be checked is designated as N2, then Chinese medicine ingredients effectiveness numerical value to be checked is (N1+N2)/N.
Described Chinese medicine composition efficiency analysis method is: being reconfigured by the medical material of Chinese patent medicine to be checked, the medical material combination of sets after reconfiguring is expressed as Q={Q1, Q2����QP, whereinFor obtaining the number of combination, k is the medical material number participating in selecting, k��4; What in Chinese medicine composition compositional data storehouse, screening was relevant to Chinese patent medicine effect to be checked effectively contrasts Chinese patent medicine, each medical material combination in newly-generated medical material combination of sets Q is compared with each medical material combination contrasting Chinese patent medicine screened respectively, filtering out identical medical material and combine and add up medical material number of combinations P1, other medical material combination in medical material combination of sets Q constitutes new medical material combination of sets Q '; APRORI algorithm is adopted to excavate all high frequency medical materials combination (i.e. frequent item set) based on all contrast Chinese patent medicines filtered out, constitute high frequency medical material combination of sets, each medical material combination in medical material combination of sets Q ' is compared with each medical material combination in high frequency medical material combination of sets respectively, filters out identical medical material and combine and add up medical material number of combinations P2; Then the effectiveness numerical value of Chinese medicine composition to be checked is (P1+P2)/P.
The described each medical material combination contrasting Chinese patent medicine screened adopts Text similarity computing method or statistical method to be calculated with the similarity of the medical material of Chinese patent medicine to be checked combination, the medical material combination of Chinese patent medicine to be checked with the similarity of high frequency Chinese medicine composition respectively.
Step 3, form compositional data storehouse based on Chinese medicine and extract composition medical material and the consumption of all Chinese patent medicines similar with effect of Chinese patent medicine to be checked, for the statistics that the consumption in each Chinese patent medicine formula of each medical material carries out, consumption corresponding to every medical material simply of Chinese patent medicine to be checked is contrasted with corresponding statistical data, the effectiveness numerical value of the every medical material consumption simply of output, adopts the effectiveness numerical value of the medical material consumption of weighted addition generation Chinese patent medicine to be checked;
The effectiveness numerical value S ' of every medical material consumption simply of described Chinese patent medicine to be checkednComputing formula such as formula (1) shown in
Wherein Dcur is the dosage of the n-th taste medical material of Chinese patent medicine to be checked, and Dmax is the n-th taste medical material maximum using dosage in statistical result, and Dmin is the n-th taste medical material minimum using dosage in statistical result.
Step 4, utilize Chinese medicine ingredients effectiveness numerical value, Chinese medicine composition effectiveness numerical value, medical material consumption effectiveness numerical computations draw comprehensive assessment numerical value, as because there is incompatibility, directly redirected then comprehensive assessment numerical value by step 1 be 0.
Shown in the computing formula such as formula (2) of comprehensive assessment numerical value Score
Score=W1*S1+W2*S2+W3*S3 (2)
Wherein W1, W2, W3 are weight values, the effectiveness numerical value of the medical material consumption of S1 is Chinese medicine ingredients effectiveness numerical value to be checked, S2 to be Chinese medicine composition effectiveness numerical value to be checked, S3 be Chinese patent medicine to be checked. Weight values W1, W2, W3 are trained obtaining by some samples, and the present embodiment adopts linear classifier that sample is trained.
The foregoing is only the preferred embodiments of the present invention, be not limited to the present invention, for a person skilled in the art, the present invention can have various modifications and variations. All within the spirit and principles in the present invention, any amendment of making, equivalent replacement, improvement etc., should be included within protection scope of the present invention.
Claims (8)
1. the Analysis of Traditional Chinese Patent Medicine method based on multi-source data, it is characterised in that include number
Build and Analysis of Traditional Chinese Patent Medicine two large divisions according to storehouse;
Database sharing:
Incompatibility data base is built based on Chinese patent medicine incompatibility table; Prescription and/or case based on effective Chinese patent medicine build Chinese medicine composition compositional data storehouse;
Wherein, Chinese medicine composition compositional data library storage information include Chinese patent medicine composition medical material and consumption, effect of Chinese patent medicine, Chinese patent medicine the effect for symptom, medical material;
Analysis of Traditional Chinese Patent Medicine comprises the following steps:
Step 1, inputs the formula of Chinese patent medicine to be checked, carries out the incompatibility inquiry of this formula based on incompatibility data base's information, whether there is incompatibility in the formula of checking Chinese patent medicine, then performs step 4 in this way, as otherwise performed step 2; The formula of described Chinese patent medicine to be checked include the medical material of Chinese patent medicine to be checked and consumption, effect of Chinese patent medicine to be checked, Chinese patent medicine to be checked for symptom;
Step 2, forms compositional data storehouse based on described Chinese medicine and carries out Chinese medicine ingredients efficiency analysis and Chinese medicine composition efficiency analysis, obtain Chinese medicine ingredients effectiveness numerical value to be checked and Chinese medicine composition effectiveness numerical value to be checked;
Described Chinese medicine ingredients efficiency analysis method is: form the medical material of identical with the corresponding symptom of Chinese patent medicine to be checked in compositional data storehouse and/or that effect is identical Chinese patent medicine based on Chinese medicine, and effect of the medical material of Chinese patent medicine to be checked, select effective medical material statistical magnitude in Chinese patent medicine to be checked, then carry out ratio calculation with the medical material total amount of Chinese patent medicine to be checked and draw Chinese medicine ingredients effectiveness numerical value to be checked;
Described Chinese medicine composition efficiency analysis method is: undertaken the medical material of Chinese patent medicine to be checked reconfiguring acquisition medical material combination of sets Q; The effective contrast Chinese patent medicine forming screening in compositional data storehouse relevant to Chinese patent medicine effect to be checked at Chinese medicine generates contrast Chinese patent medicine combination of sets, and adopt APRORI algorithm to excavate all high frequency medical material combination producing high frequency medical material combination of sets, medical material combination of sets Q respectively with contrast Chinese patent medicine combination of sets and high frequency medical material combination of sets comparison, select identical medical material and combine and add up medical material number of combinations, then the sum of the medical material number of combinations after statistics with the combination of medical material combination of sets Q Chinese crude drug is carried out ratio calculation, draw Chinese medicine composition effectiveness numerical value to be checked;
Step 3, form compositional data storehouse based on described Chinese medicine and extract composition medical material and the consumption of all Chinese patent medicines similar with effect of described Chinese patent medicine to be checked, consumption statistics is carried out for every medical material of composition simply, consumption corresponding to every medical material simply of described Chinese patent medicine to be checked is contrasted with corresponding statistical data, the effectiveness numerical value of the every medical material consumption simply of output, adopts the effectiveness numerical value of the medical material consumption of the weighted addition described Chinese patent medicine to be checked of generation;
Step 4, utilize described Chinese medicine ingredients effectiveness numerical value, described Chinese medicine composition effectiveness numerical value, described medical material consumption effectiveness numerical computations draw comprehensive assessment numerical value.
2. the method for claim 1, it is characterized in that, described Chinese medicine ingredients efficiency analysis method is: the medical material that N kind medical material in Chinese patent medicine formula to be checked forms the contrast Chinese patent medicine that corresponding symptom in compositional data storehouse is identical and/or effect is identical with Chinese medicine compares, and filters out the formula Chinese crude drug of the Chinese patent medicine to be checked occurred in the medical material of all contrast Chinese patent medicines and adds up medical material number N1; The effect remaining effect and Chinese patent medicine to be checked that (N-N1) plants medical material in Chinese patent medicine formula to be checked is contrasted, the number of the medical material approximate with effect of Chinese patent medicine to be checked is designated as N2, then Chinese medicine ingredients effectiveness numerical value to be checked is (N1+N2)/N.
3. method as claimed in claim 2, it is characterised in that described Chinese medicine composition efficiency analysis method is: being reconfigured by the medical material of Chinese patent medicine to be checked, the medical material combination of sets after reconfiguring is expressed as Q={Q1, Q2......QP, whereinFor obtaining the number of combination, k is the medical material number participating in selecting, k��4; What in Chinese medicine composition compositional data storehouse, screening was relevant to Chinese patent medicine effect to be checked effectively contrasts Chinese patent medicine, each medical material combination in newly-generated medical material combination of sets Q is compared with each medical material combination contrasting Chinese patent medicine screened respectively, filtering out identical medical material and combine and add up medical material number of combinations P1, other medical material combination in medical material combination of sets Q constitutes new medical material combination of sets Q '; APRORI algorithm is adopted to excavate the combination of all high frequency medical materials based on all contrast Chinese patent medicines filtered out, constitute high frequency medical material combination of sets, each medical material combination in medical material combination of sets Q ' is compared with each medical material combination in high frequency medical material combination of sets respectively, filters out identical medical material and combine and add up medical material number of combinations P2; Then the effectiveness numerical value of Chinese medicine composition to be checked is (P1+P2)/P.
4. the method as according to any one of claim 1-3, it is characterized in that, in described Chinese medicine composition compositional data storehouse, information adopts the mode of semantic network to indicate, its body is Chinese patent medicine, medical material, effect and symptom, and semantic relation is defined as the Chinese patent medicine required for the targeted symptom of the composition medical material of Chinese patent medicine, effect of Chinese patent medicine, the Chinese patent medicine corresponding to symptom, effect of medical material, effect of Chinese patent medicine, the medical material corresponding to effect, effect, symptom and the effect required for symptom.
5. method as claimed in claim 4, it is characterised in that the effectiveness numerical value S ' of every medical material consumption simply of described Chinese patent medicine to be checkednComputing formula be
Wherein Dcur is the dosage of the n-th taste medical material of Chinese patent medicine to be checked, and Dmax is the n-th taste medical material maximum using dosage in statistical result, and Dmin is the n-th taste medical material minimum using dosage in statistical result.
6. method as claimed in claim 5, it is characterised in that the computing formula of the comprehensive assessment numerical value Score described in step 4 is
Score=W1*S1+W2*S2+W3*S3
Wherein W1, W2, W3 are weight values, the effectiveness numerical value of the medical material consumption of S1 is Chinese medicine ingredients effectiveness numerical value to be checked, S2 to be Chinese medicine composition effectiveness numerical value to be checked, S3 be Chinese patent medicine to be checked.
7. method as claimed in claim 6, it is characterised in that described weight values W1, W2, W3 is trained obtaining by sample.
8. method as claimed in claim 7, it is characterised in that described weight values W1, W2, W3 adopts linear classifier to be trained sample obtaining.
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| CN110706789A (en) * | 2019-10-10 | 2020-01-17 | 电子科技大学 | Excavation method for incompatibility of traditional Chinese medicines |
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