Melchior du Lac’s Post

🎃 In the spirit of Halloween, I’m resurrecting an old favorite: a retrosynthetic workflow for exploring all possible metabolic routes between a list of source molecules and a target compound. Built around a simple Docker container and a Nextflow pipeline, this tool makes it much easier to run the workflow. But do checkout the original authors (an old lab I was part of) here for their good work: https://lnkd.in/guYbqxM9. Whether you’re engineering new biosynthetic routes or just curious how your favorite molecule could be synthesized metabolically, this tool gives you a much easier way to do it. 🛠️ Check it out here: https://lnkd.in/geKMFsCp #chemoinformatics #Nextflow #synbio #metabolicengineering #rdkit