A system and method that given one or more input molecules, produces a contextualized summary of characteristics of related target molecules, e.g., proteins. Using a knowledge graph which is populated with all known molecules, input molecules are analyzed according to various similarity indexes which relate the input molecules to target proteins or other biological entities. The knowledge graph may also comprise scientific literature, governmental data (FDA clinical phase data), private research endeavors (general assays, etc.), and other related biological data. The summary produced may comprise target proteins that satisfy certain biological properties, general assay results (ADMET characteristics), related diseases, off-target molecule interactions (non-targeted molecules involved in a specific pathway or cascade), market opportunities, patents, experiments, and new hypothesis.

Provided are a first measurement apparatus that measures the stable isotope ratios of a carbon element and a hydrogen element contained in hair of animal, and a verification device having a database including first reference data for the stable isotope ratios of the carbon element and the hydrogen element, which are classified for each production area of the hair of the animal, in which the first measurement apparatus measures the stable isotope ratios of the carbon element and the hydrogen element contained in the hair of the animal to be measured, and the verification device compares the measurement result of the first measurement apparatus with the first reference data, and determines the production area of the hair of the animal to be measured based on the comparison result.

Provided are a first measurement apparatus that measures the stable isotope ratios of a carbon element and a hydrogen element contained in hair of animal, and a verification device having a database including first reference data for the stable isotope ratios of the carbon element and the hydrogen element, which are classified for each production area of the hair of the animal, in which the first measurement apparatus measures the stable isotope ratios of the carbon element and the hydrogen element contained in the hair of the animal to be measured, and the verification device compares the measurement result of the first measurement apparatus with the first reference data, and determines the production area of the hair of the animal to be measured based on the comparison result.

A system and method that given one or more input molecules, produces a contextualized summary of characteristics of related target molecules, e.g., proteins. Using a knowledge graph which is populated with all known molecules, input molecules are analyzed according to various similarity indexes which relate the input molecules to target proteins or other biological entities. The knowledge graph may also comprise scientific literature, governmental data (FDA clinical phase data), private research endeavors (general assays, etc.), and other related biological data. The summary produced may comprise target proteins that satisfy certain biological properties, general assay results (ADMET characteristics), related diseases, off-target molecule interactions (non-targeted molecules involved in a specific pathway or cascade), market opportunities, patents, experiments, and new hypothesis.

Systems and methods for enabling construction of complex Boolean chemical substructure queries in a structured graphical user interface are provided. The chemical substructures (molecules) may be represented graphically in standard molecular notation, and may be arranged horizontally and vertically on the interface, along with Boolean logical operators. Boolean logical operators of a first type may logically associate molecules arranged in horizontal fashion to form row queries, whereas Boolean logical operators of a different, second type may logically associate the row queries to form a composite query to be applied to a database of molecules. The operators of the first type may comprise disjunctive operators, whereas the operators of the second type may comprise conjunctive operators.

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.

Exemplary embodiments provide computer-implemented methods, mediums, and apparatuses configured to import, create, and edit formulas for custom fields in an analytical chemistry system. The custom fields may be represented as a tree structure with nodes representing operators. When the custom field is defined, it may be incorporated into a workflow for the analytical chemistry system. Dependencies within the custom field may be identified and the custom field may be incorporated into the workflow at an appropriate workflow stage. The custom field may be scoped to define which elements of a data acquisition the custom field operates over. Various visualization options are described to allow the custom field to be displayed and/or edited in different ways.

Exemplary embodiments provide computer-implemented methods, mediums, and apparatuses configured to import, create, and edit formulas for custom fields in an analytical chemistry system. The custom fields may be represented as a tree structure with nodes representing operators. When the custom field is defined, it may be incorporated into a workflow for the analytical chemistry system. Dependencies within the custom field may be identified and the custom field may be incorporated into the workflow at an appropriate workflow stage. The custom field may be scoped to define which elements of a data acquisition the custom field operates over. Various visualization options are described to allow the custom field to be displayed and/or edited in different ways.

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.