Mapping Chemical Diversity: Descriptor-Guided Clustering of Natural Products in the COCONUT Database
G Shreyasree, Adithya Dileep, Akhileshwar Namani, Prashantha Karunakar
The paper develops a framework to map natural product chemical space using descriptor-guided clustering in the COCONUT database, identifying optimal descriptors and clustering methods to characterize chemical diversity.
bioRxiv · Jun 6, 2026 · PreprintBioinformatics