Hybrid Pathway Selection for Target Compound Synthesis
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Solution Overview
Problem
Current chemical and biochemical approaches for transforming target molecules are inefficient due to challenges in specificity, scalability, and the difficulty in finding optimal species or microorganisms for biochemical transformations, making it hard to design an optimized hybrid approach for chemical synthesis or degradation.
Innovation Solution
A method and device that combine biochemical and chemical processes by predicting hybrid arrangements of reaction steps, computing feasibility scores, and selecting pathways based on these scores to optimize the transformation of target molecules, using a computer-readable medium and processor to analyze and sort pathways for synthesis or degradation.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Productivity
If a chemical approach is used for transforming target molecules, then the process is easy to scale up and exhibits high kinetic rate, but specificity in chemical transformations may be poor and efficiency for complex molecules is low
Solution Approach 1:
The patent segments the transformation pathway into multiple reaction steps, where each step can be independently optimized. By dividing the overall transformation into discrete steps with intermediate compounds, the system can apply chemical methods for high-rate steps and biochemical methods for specificity-critical steps, resolving the contradiction between kinetic rate and specificity.
Solution Approach 2:
The patent applies different transformation approaches (chemical vs. biochemical) to different parts of the reaction pathway based on local requirements. Chemical transformations are applied where high kinetic rate is needed, while biochemical transformations are applied where high specificity is required, allowing each local segment to have optimal quality characteristics.
2Manufacturing precision
If a biochemical approach is used for transforming target molecules, then synthetic specificity is high and multiple chemical conversions can be performed in a single cell, but the process is not as exhaustive as chemical process and optimal species are not easily found
Solution Approach 1:
The patent merges chemical and biochemical transformation approaches into a hybrid pathway. By combining the specificity advantages of biochemical transformations with the exhaustiveness and scalability of chemical transformations, the system achieves both high synthetic specificity and comprehensive coverage of possible transformation routes.
Solution Approach 2:
The patent creates a universal pathway selection system that can handle both simple and complex molecules by integrating multiple transformation types. The hybrid approach provides multi-functionality, allowing the same framework to optimize pathways for diverse target molecules regardless of their complexity or the required transformation type.
3Reliability
If experimental designing of optimized hybrid approach is performed, then effective strategies can be selected, but the process is challenging and may not often be feasible
Solution Approach 1:
The patent uses computational modeling to create virtual representations of transformation pathways instead of relying solely on physical experimentation. By copying and simulating hybrid approaches in silico, the system can evaluate multiple pathways computationally, selecting effective strategies without the complexity and resource requirements of extensive experimental design.
Solution Approach 2:
The patent replaces the mechanical/experimental system of trial-and-error hybrid pathway design with a computational algorithm. The pathway selection device uses automated computing methods to evaluate and optimize hybrid transformation pathways, substituting complex experimental design with algorithmic analysis that is both feasible and reliable.
Data Source
AI summary
Provided are a method and a device for selecting a pathway for a target compound by combining biochemical and chemical processes together, wherein an input of at least one pathway for synthesis of a target compound or degradation into a target compound is received, hybrid arrangements of one or more reaction steps included in the at least one pathway are predicted, a pathway feasibility score is computed, and at least one hybrid arrangement is selected based on the pathway feasibility score.