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Using Jupyter Notebooks for re-training machine learning models.
J Cheminform. 2022 Aug 13;14(1):54. doi: 10.1186/s13321-022-00635-2.
J Cheminform. 2022.
PMID: 35964049
Free PMC article.
Papyrus: a large-scale curated dataset aimed at bioactivity predictions.
Béquignon OJM, Bongers BJ, Jespers W, IJzerman AP, van der Water B, van Westen GJP.
Béquignon OJM, et al.
J Cheminform. 2023 Jan 6;15(1):3. doi: 10.1186/s13321-022-00672-x.
J Cheminform. 2023.
PMID: 36609528
Free PMC article.
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An ensemble learning approach for modeling the systems biology of drug-induced injury.
Aguirre-Plans J, Piñero J, Souza T, Callegaro G, Kunnen SJ, Sanz F, Fernandez-Fuentes N, Furlong LI, Guney E, Oliva B.
Aguirre-Plans J, et al.
Biol Direct. 2021 Jan 12;16(1):5. doi: 10.1186/s13062-020-00288-x.
Biol Direct. 2021.
PMID: 33435983
Free PMC article.
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