DOE OSTI · code-177965
RetroTide v1.0
Abstract
RetroTide is a retrobiosynthesis software tool, designed to guide the design of biological pathways to make valuable small molecules. It takes as input a desired small molecule chemical structure, and outputs a design for a polyketide synthase enzyme (PKS) that has the closest possible chemical structure, as accessible by PKS chemistry. It is developed as a Python software library, and internally performs a search of the PKS design space, while simulating the chemicals produced by each design.
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Backman, Tyler, Blay Roger, Vincent, Chainani, Yash, Diaz, Jacob. 2024-10-24. RetroTide v1.0. https://doi.org/10.11578/dc.20260323.2
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