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ArticleJournal of cheminformatics2026

Is scaffold hopping possible in machine learning using the electronic-structure-informatics (ESI) descriptor set? an application to natural-product-based drug discovery of α-glucosidase inhibitors.

Yusuke Tateishi et al.PubMed ↗Full text ↗Publisher ↗

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Is scaffold hopping possible in machine learning using the electronic-structure-informatics (ESI) descriptor set? an application to natural-product-based drug discovery of α-glucosidase inhibitors. | Socratic