A chemical pattern recognition method for evaluating the quality of a traditional Chinese medicine based on medicine effect information, comprising: collecting chemical information of a traditional Chinese medicine sample, obtaining medicine effect information reflecting a clinical therapeutic effect thereof, performing spectrum-effect relationship analysis on the chemical information and the medicine effect information, and obtaining an index significantly related to the medicine effect as a feature chemical index; dividing the traditional Chinese medicine sample into a training set and a test set; using a pattern recognition method to extract a feature variable from samples of the training set by taking the feature chemical index as an input variable; building a pattern recognition model using the feature variable; and substituting feature variable values of samples of the test set into the model, and completing chemical pattern recognition evaluation of the quality of the traditional Chinese medicine. According to the method, chemical reference substances are not needed, the chemical pattern recognition model is built on the basis of the feature chemical index reflecting the medicine effect, the one-sidedness and the subjectivity of the existing standards are overcome, and a traditional Chinese medicine quality evaluation system capable of reflecting both the clinical therapeutic effect and overall chemical composition information is finally formed.

A microfluidic device that reads a colloidal mixture and separates the colloids based upon size and shape. and in the case of polymer colloids such as DNA, it reads patterns of markers attached to DNA. The combination of different separated fractions and DNA markers (it mapping) constitutes the physical code.

A microfluidic device that reads a colloidal mixture and separates the colloids based upon size and shape. and in the case of polymer colloids such as DNA, it reads patterns of markers attached to DNA. The combination of different separated fractions and DNA markers (it mapping) constitutes the physical code.

According to one embodiment of the present invention, provided are a feature quantity calculating method which enables calculation of a feature quantity accurately showing chemical properties of a target structure, a screening method which enables efficient screening of a pharmaceutical candidate compound using a feature quantity, and a compound creating method which enable efficient creation of a three-dimensional structure of a pharmaceutical candidate compound using a feature quantity. In one aspect of the present invention, the feature quantity calculating method is a method including a target structure designating step of designating a target structure formed of a plurality of unit structures having chemical properties, a three-dimensional structure acquiring step of acquiring a three-dimensional structure from the plurality of unit structures for the target structure, and a probe feature quantity calculating step of calculating a feature quantity showing a cross-sectional area of one or more kinds of probes for the target structure, in which the probe is a structure in which a plurality of points having a real electric charge and generating a van der Waals force are disposed to be separated from each other.

According to one embodiment of the present invention, provided are a feature quantity calculating method which enables calculation of a feature quantity accurately showing chemical properties of a target structure, a screening method which enables efficient screening of a pharmaceutical candidate compound using a feature quantity, and a compound creating method which enable efficient creation of a three-dimensional structure of a pharmaceutical candidate compound using a feature quantity. In one aspect of the present invention, the feature quantity calculating method is a method including a target structure designating step of designating a target structure formed of a plurality of unit structures having chemical properties, a three-dimensional structure acquiring step of acquiring a three-dimensional structure from the plurality of unit structures for the target structure, and a probe feature quantity calculating step of calculating a feature quantity showing a cross-sectional area of one or more kinds of probes for the target structure, in which the probe is a structure in which a plurality of points having a real electric charge and generating a van der Waals force are disposed to be separated from each other.

A system for generating first data including content data includes an interface for outputting the content data, a conversion unit to convert an intensity change indicative of a detected chemical substance contained in data from a sensor into the content data. The sensor includes a mass spectrometric type sensor capable of controlling sensitivity, resolution or selectivity, and a hardware unit that is configured to carry out an analysis of the data with initial setting conditions designed for scanning in a first range using a test sample prepared in advance, change the setting conditions for the sensor for use with the conversion unit, based on the analysis carried out automatically and periodically, the setting conditions including at least one of a voltage for ionizing and a voltage for scanning a spectrum region for detecting a chemical substance requested by an application.

A system for generating first data including content data includes an interface for outputting the content data, a conversion unit to convert an intensity change indicative of a detected chemical substance contained in data from a sensor into the content data. The sensor includes a mass spectrometric type sensor capable of controlling sensitivity, resolution or selectivity, and a hardware unit that is configured to carry out an analysis of the data with initial setting conditions designed for scanning in a first range using a test sample prepared in advance, change the setting conditions for the sensor for use with the conversion unit, based on the analysis carried out automatically and periodically, the setting conditions including at least one of a voltage for ionizing and a voltage for scanning a spectrum region for detecting a chemical substance requested by an application.

In an LC system using an ODS column (15) and UV detector (17), a cannabis-derived sample is analyzed by gradient elution using a phosphoric acid aqueous solution and phosphoric-acid-containing methanol. A control unit (3) regulates the openings of solenoid valves in a mixer (12) so that the increase rate of the mixture ratio of the phosphoric-acid-containing methanol in a second part of the analysis period is higher than in a first part. By this operation, ten active ingredients (including Total THC, Total CBD and CBN) contained in cannabis can be satisfactorily separated within an analysis time which is equal to or even shorter than approximately 30 minutes. Each ingredient separated by the column (15) is detected by the UV detector (17). An active ingredient identification processor (22) identifies the ten active ingredients based on the retention times of the peaks on a chromatogram created from the detection signals.

In an LC system using an ODS column (15) and UV detector (17), a cannabis-derived sample is analyzed by gradient elution using a phosphoric acid aqueous solution and phosphoric-acid-containing methanol. A control unit (3) regulates the openings of solenoid valves in a mixer (12) so that the increase rate of the mixture ratio of the phosphoric-acid-containing methanol in a second part of the analysis period is higher than in a first part. By this operation, ten active ingredients (including Total THC, Total CBD and CBN) contained in cannabis can be satisfactorily separated within an analysis time which is equal to or even shorter than approximately 30 minutes. Each ingredient separated by the column (15) is detected by the UV detector (17). An active ingredient identification processor (22) identifies the ten active ingredients based on the retention times of the peaks on a chromatogram created from the detection signals.

The invention belongs to the technical field of drug crystal analysis, and particularly relates to a drug crystal structure landscape analysis system and a landscape analysis method thereof. The drug crystal structure landscape analysis system calls a cloud computing interface to calculate the energy of input crystals through an algorithm deployed in the cloud in advance, and an energy-density space group landscape array diagram of the crystals is generated according to the computation results returned; and analysis is selectively carried out as needed, result reports arc analyzed and summarized as a final report, and the final report is converted into a text document. The drug crystal structure landscape analysis system and the landscape analysis method thereof satisfy the drug crystal structure analysis requirements in the new technology background, and can analyze a large quantity of crystals which are formed by a certain drug molecule and have different structures.