Molecular embedding-based algorithm selection in protein-ligand docking.
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| Title: | Molecular embedding-based algorithm selection in protein-ligand docking. |
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| Authors: | Wang JB; Division of Natural and Applied Sciences, Duke Kunshan University, 8 Duke Av., Suzhou, 215316, Jiangsu, China., Cao S; Division of Natural and Applied Sciences, Duke Kunshan University, 8 Duke Av., Suzhou, 215316, Jiangsu, China., Wu H; Division of Natural and Applied Sciences, Duke Kunshan University, 8 Duke Av., Suzhou, 215316, Jiangsu, China., Yuan Y; Machine Learning Department, Mohamed bin Zayed University of Artificial Intelligence, Building 1B, Masdar City, Abu Dhabi, UAE., Mısır M; Division of Natural and Applied Sciences, Duke Kunshan University, 8 Duke Av., Suzhou, 215316, Jiangsu, China. mustafa.misir@dukekunshan.edu.cn. |
| Source: | Journal of cheminformatics [J Cheminform] 2026 Mar 14; Vol. 18 (1). Date of Electronic Publication: 2026 Mar 14. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: BioMed Central Country of Publication: England NLM ID: 101516718 Publication Model: Electronic Cited Medium: Print ISSN: 1758-2946 (Print) Linking ISSN: 17582946 NLM ISO Abbreviation: J Cheminform Subsets: PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
| ISSN: | 1758-2946 |
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| DOI: | 10.1186/s13321-026-01168-8 |
