Glyconnection: AI-assisted Glycosidic Linkage Optimization Platform
Abstract
This release represents the first Zenodo-linked public version of Glyconnection. Glyconnection is an AI-guided cheminformatics platform for systematic analysis of glycosidic linkage variants between aglycone and sugar moieties. The tool automatically generates multiple glycosidic linkage types (O-, N-, S-, and C-glycosides), computes molecular descriptors using RDKit, evaluates comparative drug-likeness and ADMET-related properties, and ranks the variants based on a composite scoring strategy. Key features in this release: Automated generation of O/N/S/C glycosidic variants Descriptor calculation using RDKit (physicochemical and drug-relevant properties) Scoring and ranking of linkage variants Scientific explanation of the selected optimal linkage Persistent storage of results via Supabase integration Web-based interactive interface for live compound analysis This release is intended for academic research, early-stage drug design exploration, and educational use in glycoscience and cheminformatics.
Fields of Study & Subjects
Computational Drug Discovery Methods
Carbohydrate Chemistry and Synthesis
Synthesis and Characterization of Heterocyclic Compounds
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 13 January 2026