A computing method for normalizing molecule graph data for hierarchical molecular generation can include: providing molecule graph data of a molecule having a node; recursively splitting the node into two nodes; iteratively recursively spilling other nodes into two nodes; generating generated molecular graph data of a generated molecule from node splitting; and providing a report with the generated molecular graph. A computing method can include: providing molecule graph data into a latent code generator having multiple levels with a forward and inverse; and generating latent codes by processing molecule graph data through multiple levels of operations, wherein each level of operations has a sequence of sublevels of operations in forward path and inverse path, wherein the sublevels of operations include node merging operation and node splitting operation; generating at least one molecular structure from latent codes; and outputting generate molecule graph data having the at least one molecular structure.

Systems and methods for processing sensor data and end of life detection are provided. In some embodiments, a method for determining the end of life of a continuous analyte sensor includes evaluating a plurality of risk factors using an end of life function to determine an end of life status of the sensor and providing an output related to the end of life status of the sensor. The plurality of risk factors may be selected from the list including the number of days the sensor has been in use, whether there has been a decrease in signal sensitivity, whether there is a predetermined noise pattern, whether there is a predetermined oxygen concentration pattern, and error between reference BG values and EGV sensor values.

Systems and methods for processing sensor data and end of life detection are provided. In some embodiments, a method for determining the end of life of a continuous analyte sensor includes evaluating a plurality of risk factors using an end of life function to determine an end of life status of the sensor and providing an output related to the end of life status of the sensor. The plurality of risk factors may be selected from the list including the number of days the sensor has been in use, whether there has been a decrease in signal sensitivity, whether there is a predetermined noise pattern, whether there is a predetermined oxygen concentration pattern, and error between reference BG values and EGV sensor values.

This disclosure provides a system and method for user interaction in complex web 3D scenes, including a receiving module, a transmission module and a 3D model module. The receiving module receives molecular data. The transmission module analyzes the received molecular data and then enters the two branch modules at the same time. The branch modules include: a view layer unit: processing browser rendering and 3D model construction, the data generated by the branch will finally be presented on the browser page; a data layer unit: processing 3D picking-related business logic, and establishing a list of related model index information for atoms and covalent bonds in molecular data. The 3D model module: establishes a one-to-one correspondence between color and 3D model. This invention simplifies the display model of the molecule for the picking of web 3D molecular visualization and reduces the computational cost of the model data on the rendering.

An augmented reality Lewis structure explorer including a set of chemical pieces to be used to form representations of chemical structures is provided. The set of chemical pieces includes a first plurality of atom pieces and a second plurality of chemical bond pieces. Each atom piece represents an atom, while each chemical bond piece represents a chemical bond. The Lewis structure explorer also includes one or more video cameras configured to view a target area, a display, and a computer device in communication with the one or more video cameras and the display. The computer device is configured to recognize atom pieces and chemical bond pieces placed within the target area. The computer device is also configured to recognize chemical bonds when a selected chemical bond piece is placed between two atom pieces. The computer device further configured to render recognized atom pieces and chemical bond pieces on the display.

An augmented reality Lewis structure explorer including a set of chemical pieces to be used to form representations of chemical structures is provided. The set of chemical pieces includes a first plurality of atom pieces and a second plurality of chemical bond pieces. Each atom piece represents an atom, while each chemical bond piece represents a chemical bond. The Lewis structure explorer also includes one or more video cameras configured to view a target area, a display, and a computer device in communication with the one or more video cameras and the display. The computer device is configured to recognize atom pieces and chemical bond pieces placed within the target area. The computer device is also configured to recognize chemical bonds when a selected chemical bond piece is placed between two atom pieces. The computer device further configured to render recognized atom pieces and chemical bond pieces on the display.

A crystal analysis method for a computer to execute a process includes creating a graph that indicates data of repeating unit cell in an ionic crystal and data of an adjacent repeating unit cell that is adjacent to the repeating unit cell; analyzing the ionic crystal based on the graph; and when a number of first intra-cell node that indicates data of an anionic atom bonded to a cationic atom in the repeating unit cell is n, setting a number of second intra-cell node that indicates data of the anionic atom in the repeating unit cell n−1 or less, wherein the data of repeating unit cell includes a plurality of intra-cell nodes that indicate data of atoms in the repeating unit cell, and the plurality of intra-cell nodes include the first intra-cell node and the second intra-cell node.

A processor may receive molecular data for a plurality of molecules. The processor may perform topological data analysis on the molecular data to generate a molecular topological map. The processor may identify one or more lacunae in the molecular topological map. The processor may generate one or more additional molecules to fill at least one of the one or more lacunae.

A processor may receive molecular data for a plurality of molecules. The processor may perform topological data analysis on the molecular data to generate a molecular topological map. The processor may identify one or more lacunae in the molecular topological map. The processor may generate one or more additional molecules to fill at least one of the one or more lacunae.

A method for authoring and using a chemical mechanism includes a step of authoring a chemical mechanism problem to be solved by a user with an authoring tool. The chemical mechanism problem presents a user with chemical renderings of starting chemical compounds to be rearranged in a predetermined series of steps to form a predetermined final chemical compound. The authoring tool being implemented by an authoring computer device having a processor and a display. The chemical renderings of the starting chemical compounds are intended to be displayed on a user computer device. Therefore, the steps of the chemical problem created by the author recorded to a suitable storage medium. A series of inputs from the user are received on a user tool on the user computer device for moving atoms and or bonds in the chemical rendering of the starting chemical compounds to reproduce a chemical mechanism.