Metabolic Pathway Visualization for Compound Toxicity Evaluation

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Solution Overview

Problem

Existing technologies do not effectively support users in efficiently understanding and evaluating the prediction results and toxicity evaluation of metabolic reactions and compounds, lacking clear display of metabolic pathways and toxicity outcomes.

Innovation Solution

An information processing apparatus and method that generates a display image showing metabolic reactions and toxicity evaluation results in a systematic metabolic reaction pathway, distinguishing between compounds and displaying disappearance compounds, with adjustable display ranges and detailed toxicity determination paths.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Loss of information

If existing technologies are used for toxicity evaluation, then prediction of metabolites and metabolic pathways can be achieved, but the display and understanding of prediction results and toxicity evaluation outcomes are inefficient and unclear

Engineering Contradiction:

Improveclarity of prediction results and toxicity evaluation outcomesVSAvoidefficiency of understanding and evaluating metabolic reactions

Core Design Contradiction:

Loss of informationVSEase of operation

Solution Approach 1:

The system segments the complex toxicity evaluation information into distinct visual components: metabolic reaction pathways are separated from toxicity evaluation results, and different metabolite types (disappearance compounds, accumulation compounds, etc.) are segmented and displayed separately. This segmentation allows users to clearly distinguish between prediction results and evaluation outcomes without information overload.

Inventive Principle:

Principle #1Segmentation

Solution Approach 2:

The system transforms tabular or text-based toxicity evaluation data into a two-dimensional visual display format. Metabolic pathways are represented as graphical flows, and toxicity evaluations are overlaid as visual indicators on the pathway diagram. This dimensional transformation from text to visual space enhances comprehensibility and allows simultaneous viewing of multiple data types.

Inventive Principle:

Principle #17Another dimension (Dimensionality change)

2Reliability

If detailed toxicity evaluation data is provided, then comprehensive toxicity assessment is achieved, but the complexity of displaying and understanding the information increases

Engineering Contradiction:

Improvecomprehensiveness of toxicity assessmentVSAvoidcomplexity of display system

Core Design Contradiction:

ReliabilityVSDevice complexity

Solution Approach 1:

The system merges multiple types of information (metabolic pathway data, metabolite identification, toxicity evaluation results, and compound classification) into a single integrated visual display. The pathway diagram serves as the base layer, with metabolite nodes and toxicity indicators overlaid on the same graphical space, eliminating the need for multiple separate displays or documents.

Inventive Principle:

Principle #5Merging (Combining)

Solution Approach 2:

Different regions of the display are assigned different information qualities: metabolic pathways are shown with connection arrows and reaction types, metabolites are labeled with their classification (disappearance/accumulation), and toxicity evaluations are displayed with color-coded indicators. This local differentiation of information quality allows comprehensive data presentation without uniform visual complexity throughout the entire display.

Inventive Principle:

Principle #3Local quality

3Loss of information

If all metabolites in the metabolic pathway are displayed, then complete metabolic information is provided, but the distinguishability of important compounds such as disappearance compounds is reduced

Engineering Contradiction:

Improvecompleteness of metabolic pathway informationVSAvoiddistinguishability of disappearance compounds

Core Design Contradiction:

Loss of informationVSMeasurement precision

Solution Approach 1:

The system applies color-coded visual indicators to distinguish different metabolite types within the complete metabolic pathway display. Disappearance compounds are marked with one color indicator, accumulation compounds with another, and compounds of concern with additional highlighting. This color differentiation allows all metabolites to be displayed while maintaining clear distinguishability of important compound types through visual cues.

Inventive Principle:

Principle #32Color changes

Data Source

PatentUS20260011444A1Information processing apparatus, information processing method, and program

Publication Date: 2026.01.08 FUJIFILM CORP

AI summary

An information processing apparatus includes a processor, in which the processor is configured to generate a display image that shows a prediction result of metabolic reactions occurring in vivo from a test substance and metabolites generated by the metabolic reactions and an evaluation result of toxicity of at least one compound in a compound group composed of the test substance and the metabolites, the display image showing the evaluation result of the compound in a distinguishable manner in a metabolic reaction pathway that systematically shows the metabolic reactions occurring in a chain starting from the test substance, and the resulting metabolites, and execute control of outputting the generated display image, and the metabolites systematically shown in the display image include a disappearance compound that disappears in the metabolic reaction pathway.