Glyconnection: AI-assisted Glycosidic Linkage Optimization Platform
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| Natura: | Recurso digital |
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Zenodo
2026
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| _version_ | 1866902003664289792 |
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| author | Shahat Belal, Ahmed |
| author_facet | Shahat Belal, Ahmed |
| contents | <p>This release represents the first Zenodo-linked public version of Glyconnection.</p> <p>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.</p> <p>Key features in this release:</p> <ul> <li>Automated generation of O/N/S/C glycosidic variants</li> <li>Descriptor calculation using RDKit (physicochemical and drug-relevant properties)</li> <li>Scoring and ranking of linkage variants</li> <li>Scientific explanation of the selected optimal linkage</li> <li>Persistent storage of results via Supabase integration</li> <li>Web-based interactive interface for live compound analysis</li> </ul> <p>This release is intended for academic research, early-stage drug design exploration, and educational use in glycoscience and cheminformatics.</p> |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_18236882 |
| institution | Zenodo |
| language | |
| publishDate | 2026 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | Glyconnection: AI-assisted Glycosidic Linkage Optimization Platform Shahat Belal, Ahmed glycosides drug design cheminformatics rdkit ai admet <p>This release represents the first Zenodo-linked public version of Glyconnection.</p> <p>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.</p> <p>Key features in this release:</p> <ul> <li>Automated generation of O/N/S/C glycosidic variants</li> <li>Descriptor calculation using RDKit (physicochemical and drug-relevant properties)</li> <li>Scoring and ranking of linkage variants</li> <li>Scientific explanation of the selected optimal linkage</li> <li>Persistent storage of results via Supabase integration</li> <li>Web-based interactive interface for live compound analysis</li> </ul> <p>This release is intended for academic research, early-stage drug design exploration, and educational use in glycoscience and cheminformatics.</p> |
| title | Glyconnection: AI-assisted Glycosidic Linkage Optimization Platform |
| topic | glycosides drug design cheminformatics rdkit ai admet |
| url | https://doi.org/10.5281/zenodo.18236882 |