Molecular Database Component Links Dynamic Validation

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Solution Overview

Problem

Existing molecular database systems face challenges in efficiently representing complex networks of relationships between molecules and maintaining data integrity, particularly in dynamically changing datasets, where validation status of component links needs to adapt and propagate modifications while preventing uncontrolled data propagation.

Innovation Solution

A molecular database management system that stores molecule components and component links with adjustable validation criteria, allowing component links to toggle between valid and invalid states, and propagates modifications to restore consistency, while maintaining access control and notifying users of invalid links to resolve issues.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Adaptability or versatility

If the molecular database stores complex networks of relationships between molecules with dynamic changes, then the representational capacity and adaptability are improved, but the data consistency and integrity become difficult to maintain

Engineering Contradiction:

Improverepresentational capacityVSAvoiddata consistency

Core Design Contradiction:

Adaptability or versatilityVSReliability

Solution Approach 1:

The patent implements dynamic validation status for component links that can transition between valid and invalid states. When molecules are added, removed, or modified in the database, the validation status of related component links automatically updates to reflect the current state of relationships, allowing the system to adapt to dynamic changes while maintaining data consistency through state tracking.

Inventive Principle:

Principle #15Dynamics

Solution Approach 2:

The system employs feedback mechanisms where modifications to molecule components trigger validation checks on associated component links. The validation status provides feedback about the integrity of relationships, and when inconsistencies are detected, the system can propagate modifications or notify users to restore validity, ensuring data consistency is maintained through continuous monitoring and correction.

Inventive Principle:

Principle #23Feedback

2Reliability

If the system propagates modifications through the database to restore consistency, then the data integrity is improved, but the computational overhead and time consumption increase

Engineering Contradiction:

Improvedata integrityVSAvoidmodification propagation time

Core Design Contradiction:

ReliabilityVSLoss of time

Solution Approach 1:

The patent segments the validation and modification propagation process into individual component link level operations. Instead of validating the entire database at once, the system evaluates validation criteria separately for each component link affected by a modification, allowing for finer-grained and more efficient processing of consistency restoration.

Inventive Principle:

Principle #1Segmentation

Solution Approach 2:

The system performs partial validation by focusing only on component links that are directly affected by modifications to specific molecule components. Rather than revalidating the entire database, the system selectively validates and propagates changes only where necessary, reducing the computational overhead and time required while maintaining data integrity.

Inventive Principle:

Principle #16Partial or excessive action

3Manufacturing precision

If the system maintains validation status for all component links, then the data quality control is improved, but the storage requirements and system complexity increase

Engineering Contradiction:

Improvedata qualityVSAvoidsystem complexity

Core Design Contradiction:

Manufacturing precisionVSDevice complexity

Solution Approach 1:

The patent implements local quality control by associating validation status and validation criteria specifically with each component link rather than applying uniform validation rules across the entire database. Each component link can have its own validation status (valid/invalid) and specific validation criteria, allowing for targeted quality control that reduces unnecessary complexity in areas not affected by specific validation requirements.

Inventive Principle:

Principle #3Local quality

Data Source

PatentUS11429591B1Component links in molecular databases

Publication Date: 2022.08.30 BENCHLING INC

AI summary

Methods, systems, and apparatus, including computer programs encoded on a computer storage medium, for updating a molecular database. In one aspect, a method comprises: receiving a request to update a target molecule component stored in the molecular database; updating the data defining a target molecule represented by the target molecule component; identifying a set of target component links that reference the target molecule component; identifying, for each of the target component links, a respective validation criterion associated with the target component link; determining, for each of the target component links, a new validation status for the target component link by evaluating the validation criterion associated with the target component link; and updating the current validation status of each target component link to the new validation status for the target component link.