Digital Annotation of Chemical Reactions in Text

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Solution Overview

Problem

Physical chemical experimentation in wet labs for chemical reaction analysis is time-consuming, resource-intensive, and potentially hazardous, necessitating a more efficient and comprehensive method for textual chemical analysis.

Innovation Solution

A computer-implemented method that identifies chemical reactions in textual documents, extracts chemical terms, creates annotations, and stores representations of these annotations to facilitate a more efficient analysis of chemical reactions.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Measurement precision

If physical chemical experimentation is conducted in wet labs, then comprehensive chemical reaction analysis can be achieved, but the process becomes time-consuming and resource-intensive

Engineering Contradiction:
Improvechemical reaction analysis accuracyVSAvoidexperimentation time
Core Design Contradiction:
Measurement precisionVSLoss of time

Solution Approach 1:

The patent creates digital copies of chemical reactions by extracting and annotating chemical terms from textual documents. Instead of performing physical experiments, the system generates structured digital representations (annotations) that capture reaction information, thereby eliminating time-consuming wet lab experimentation while preserving analytical accuracy.

Inventive Principle:
Principle #26Copying

Solution Approach 2:

The patent replaces the mechanical/physical system of wet lab experimentation with an information processing system. Chemical reactions are analyzed through text extraction, term identification, and annotation generation using computer processors, substituting physical chemical manipulation with digital information processing to reduce time and resource consumption.

Inventive Principle:
Principle #28Mechanics substitution (Replace mechanical system)

2Reliability

If physical chemical experimentation is conducted in wet labs, then chemical reaction data can be obtained, but the process becomes potentially hazardous

Engineering Contradiction:
Improvechemical reaction data reliabilityVSAvoidexperimentation hazards
Core Design Contradiction:
ReliabilityVSObject-affected harmful factors

Solution Approach 1:

The system creates safe digital copies of chemical reaction information by extracting data from existing textual documents and creating structured annotations. This approach obtains reliable chemical reaction data without performing hazardous physical experiments, as the analysis is performed on documented reactions rather than through active experimentation.

Inventive Principle:
Principle #26Copying

Solution Approach 2:

The patent introduces text documents and computational annotation systems as intermediaries between the researcher and chemical reactions. Instead of directly manipulating chemicals in hazardous wet lab conditions, the system mediates the analysis process through information extraction and digital processing, eliminating direct exposure to harmful chemical substances.

Inventive Principle:
Principle #24Intermediary (Mediator)

3Measurement precision

If comprehensive physical experimentation is performed, then thorough chemical analysis can be achieved, but resource consumption increases

Engineering Contradiction:
Improvechemical analysis comprehensivenessVSAvoidresource consumption
Core Design Contradiction:
Measurement precisionVSLoss of energy

Solution Approach 1:

The patent creates comprehensive chemical analysis through digital annotation copies of reaction information extracted from text documents. The system identifies chemical terms, determines reaction types, and generates detailed annotations without consuming physical resources, achieving thorough analysis while eliminating the energy and material costs associated with physical experimentation.

Inventive Principle:
Principle #26Copying

Solution Approach 2:

The patent substitutes energy-intensive physical experimentation with low-energy information processing operations. Computer processors extract and annotate chemical information from text documents, replacing the high resource consumption of wet lab equipment, reagents, and facility operations with efficient digital computation that maintains analytical comprehensiveness.

Inventive Principle:
Principle #28Mechanics substitution (Replace mechanical system)

Data Source

PatentUS11544449B2Annotating chemical reactions
Publication Date: 2023.01.03 INTERNATIONAL BUSINESS MACHINE CORPORATION
  • US11544449B2 patent drawing
  • US11544449B2 patent drawing
  • US11544449B2 patent drawing

AI summary

A computer-implemented method according to one embodiment includes identifying a textual document, determining a chemical reaction within the textual document, extracting a plurality of chemical terms from the chemical reaction, creating an annotation for the chemical reaction, utilizing the plurality of chemical terms, and storing a representation of the annotation for the chemical reaction.