Rule-Based Deconstruction and Reconstruction of Diterpene Libraries: Categorizing Patterns & Unravelling the Structural Landscape
Davis T. Mathieu, Nicholas Schlecht, Marvin van Aalst, Kevin M. Shebek, Lucas Busta, Nicole Babineau, Oliver Ebenhöh, Björn Robert Hamberger
The paper deconstructs and reconstructs diterpene structures to categorize patterns and model synthesis mechanisms, revealing core skeletons and predicting compound diversity.
bioRxiv · Dec 20, 2024 · PreprintBioinformatics