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When Yield Prediction Does Not Yield Prediction: An Overview of the Current Challenges.
J Chem Inf Model. 2024 Jan 8;64(1):42-56. doi: 10.1021/acs.jcim.3c01524. Epub 2023 Dec 20.
J Chem Inf Model. 2024.
PMID: 38116926
Review.
Reagent prediction with a molecular transformer improves reaction data quality.
Andronov M, Voinarovska V, Andronova N, Wand M, Clevert DA, Schmidhuber J.
Andronov M, et al. Among authors: voinarovska v.
Chem Sci. 2023 Mar 1;14(12):3235-3246. doi: 10.1039/d2sc06798f. eCollection 2023 Mar 22.
Chem Sci. 2023.
PMID: 36970100
Free PMC article.
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1-Hydroxy-2(1H)-pyridinone-Based Chelators with Potential Catechol O-Methyl Transferase Inhibition and Neurorescue Dual Action against Parkinson's Disease.
Bergin JCJ, Tan KK, Nelson AK, Amarandei CA, Hubscher-Bruder V, Brandel J, Voinarovska V, Dejaegere A, Stote RH, Tétard D.
Bergin JCJ, et al. Among authors: voinarovska v.
Molecules. 2022 Apr 28;27(9):2816. doi: 10.3390/molecules27092816.
Molecules. 2022.
PMID: 35566171
Free PMC article.
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