DNAzyme Design Using Machine Learning Models

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Solution Overview

Problem

Current methods for designing DNAzymes for specific functions are inefficient, costly, and time-consuming, often relying on non-specific tools and involving trial and error, which can lose physiological biochemical and structural parameters.

Innovation Solution

A machine learning approach is employed to identify potential target sites, propose DNAzyme sequences, determine characteristics, and assess their function probability using models like multiple logistic regression, allowing for the sorting and refinement of sequences to ensure efficient DNAzyme design for predetermined functions.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If traditional trial and error methods are used to design DNAzyme sequences, then DNAzyme functionality can be achieved, but the design process becomes time-consuming and costly

Engineering Contradiction:
ImproveDNAzyme functionalityVSAvoiddesign process time
Core Design Contradiction:
ReliabilityVSLoss of time

Solution Approach 1:

The patent applies preliminary action by using in silico computational methods to predict and evaluate DNAzyme sequences before laboratory testing. The system performs virtual screening of potential DNAzyme candidates using algorithms that assess catalytic activity, specificity, and stability, allowing researchers to pre-select the most promising sequences for experimental validation. This preliminary computational assessment significantly reduces the number of sequences that require time-consuming wet lab testing.

Inventive Principle:
Principle #10Preliminary action

Solution Approach 2:

The patent employs copying by creating virtual models and simulations of DNAzyme behavior in silico. Instead of physically testing every possible DNAzyme sequence in the laboratory, the system creates computational copies that simulate catalytic activity, binding affinity, and structural stability. These virtual models allow for rapid evaluation of thousands of sequences without consuming physical materials or experimental time, thereby accelerating the design process while maintaining reliability.

Inventive Principle:
Principle #26Copying

2Reliability

If traditional trial and error methods are used to design DNAzyme sequences, then DNAzyme functionality can be achieved, but the design cost increases

Engineering Contradiction:
ImproveDNAzyme functionalityVSAvoiddesign process cost
Core Design Contradiction:
ReliabilityVSEase of manufacture

Solution Approach 1:

The patent applies mechanics substitution by replacing the mechanical wet lab trial-and-error process with computational in silico methods. Instead of physically synthesizing and testing numerous DNAzyme sequences in the laboratory, the system uses algorithms and computational models to predict sequence functionality. This substitution of computational mechanics for physical experimentation dramatically reduces costs associated with reagents, laboratory equipment, and manual labor while maintaining the ability to identify functional DNAzymes.

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

Solution Approach 2:

The patent implements self-service by enabling the computational system to automatically evaluate and select optimal DNAzyme sequences without requiring extensive manual intervention. The in silico platform autonomously performs sequence analysis, predicts catalytic activity, assesses specificity, and ranks candidates, reducing the need for researcher time and laboratory resources. This automated self-evaluation process makes the design process more cost-effective while maintaining high standards of functionality.

Inventive Principle:
Principle #25Self-service

3Ease of operation

If short fragments of target RNA are used in design, then the design process is simplified, but physiological biochemical and structural parameters are lost

Engineering Contradiction:
Improvedesign process simplicityVSAvoidphysiological parameter accuracy
Core Design Contradiction:
Ease of operationVSReliability

Solution Approach 1:

The patent applies parameter changes by dynamically adjusting the complexity and completeness of target RNA representations used in computational models. Rather than using simplified short fragments that lose physiological context, the system incorporates full-length target RNA sequences with complete biochemical and structural parameters. The computational algorithms are configured to process and analyze these comprehensive parameters, including secondary structure, tertiary interactions, and physiological conditions, thereby maintaining accuracy while achieving design simplicity through automated parameter integration.

Inventive Principle:
Principle #35Parameter changes

Data Source

PatentUS20240274227A1Dnazyme design
Publication Date: 2024.08.15 UNIV OF ESSEX ENTERPRISES
  • US20240274227A1 patent drawing
  • US20240274227A1 patent drawing
  • US20240274227A1 patent drawing

AI summary

A method for providing at least one DNAzyme for performing a predetermined function on a target string and a method for training computer implemented instructions executable on a processor for providing at least one DNAzyme for performing a predetermined function on a target string are disclosed. The method for providing at least one DNAzyme for performing a predetermined function on a target string includes identifying at least one potential target site of a target string; proposing a plurality of possible DNAzyme sequences which may perform a predetermined function on at least one target site, determining at least one DNAzyme characteristic of each DNAzyme sequence of the plurality of possible DNAzyme sequences utilising a model to indicate a relationship between the at least one DNAzyme characteristic and a predetermined function probability of each DNAzyme sequence of the plurality of possible DNAzyme sequences, and determining if the predetermined function probability each DNAzyme sequence of the plurality of possible DNAzyme sequences are above a predetermined function probability threshold.