Information processing method, data structure, information processing system, and information processing program
The information processing method and system address the challenge of managing chemical species in reaction pathways by integrating electronic state and structural data, enabling efficient and accurate simulation of reactants and products.
WO2026009626A1 Publication Date: 2026-01-08PANASONIC INTELLECTUAL PROPERTY MANAGEMENT CO LTD
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Patent Information
- Application Number
- PCT/JP2025/020208
- Authority / Receiving Office
- WO · WO
- Patent Type
- Applications
- Current Assignee / Owner
- Priority Date
- 2024-07-03
- Filing Date
- 2025-06-04
- Publication Date
- 2026-01-08
AI Technical Summary
Technical Problem
Existing technologies fail to manage chemical species in reaction pathways effectively as electronic data, lacking suitable identification and integration for suitable use in simulations.
Method used
An information processing method and system that manages chemical species in reaction pathways by associating electronic state information, structural data, and chemical species name information, using reaction path information to generate and register reactants and products, and perform simulations.
Benefits of technology
Enables efficient management and simulation of chemical species in reaction pathways, facilitating accurate identification and processing of reactants and products, reducing processing time and enhancing simulation accuracy.
✦ Generated by Eureka AI based on patent content.
Abstract
An information processing method executed by an information processing device, said method comprising registering electronic state information, structural data, and chemical species name information in association with each other as chemical species management information on the basis of reaction pathway information representing an elementary reaction pathway in which one or more products are generated from one or more reactants via a transition state and for each chemical species constituting each of the reactants and the products, the electronic state information being related to the electronic state of the chemical species, the structural data being related to the structure of the chemical species, and the chemical species name information being represented by a character string composed of a molecular formula and an identification number of the chemical species.
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