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Deep learning for low-data drug discovery: Hurdles and opportunities.
Curr Opin Struct Biol. 2024 Apr 25;86:102818. doi: 10.1016/j.sbi.2024.102818. Online ahead of print.
Curr Opin Struct Biol. 2024.
PMID: 38669740
Free article.
Review.
Correction to "Exposing the Limitations of Molecular Machine Learning with Activity Cliffs".
van Tilborg D, Alenicheva A, Grisoni F.
van Tilborg D, et al.
J Chem Inf Model. 2023 Oct 18. doi: 10.1021/acs.jcim.3c01576. Online ahead of print.
J Chem Inf Model. 2023.
PMID: 37851546
No abstract available.
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Structure-Based Drug Discovery with Deep Learning.
Özçelik R, van Tilborg D, Jiménez-Luna J, Grisoni F.
Özçelik R, et al. Among authors: van tilborg d.
Chembiochem. 2023 Jul 3;24(13):e202200776. doi: 10.1002/cbic.202200776. Epub 2023 Jun 13.
Chembiochem. 2023.
PMID: 37014633
Review.
Item in Clipboard
Correction to "Exposing the Limitations of Molecular Machine Learning with Activity Cliffs".
van Tilborg D, Alenicheva A, Grisoni F.
van Tilborg D, et al.
J Chem Inf Model. 2023 Apr 10;63(7):2266. doi: 10.1021/acs.jcim.3c00423. Epub 2023 Mar 30.
J Chem Inf Model. 2023.
PMID: 36995229
Free PMC article.
No abstract available.
Item in Clipboard
Exposing the Limitations of Molecular Machine Learning with Activity Cliffs.
van Tilborg D, Alenicheva A, Grisoni F.
van Tilborg D, et al.
J Chem Inf Model. 2022 Dec 12;62(23):5938-5951. doi: 10.1021/acs.jcim.2c01073. Epub 2022 Dec 1.
J Chem Inf Model. 2022.
PMID: 36456532
Free PMC article.
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PANDORA: A Fast, Anchor-Restrained Modelling Protocol for Peptide: MHC Complexes.
Marzella DF, Parizi FM, van Tilborg D, Renaud N, Sybrandi D, Buzatu R, Rademaker DT, 't Hoen PAC, Xue LC.
Marzella DF, et al. Among authors: van tilborg d.
Front Immunol. 2022 May 10;13:878762. doi: 10.3389/fimmu.2022.878762. eCollection 2022.
Front Immunol. 2022.
PMID: 35619705
Free PMC article.
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Cancers in Agreement? Exploring the Cross-Talk of Cancer Metabolomic and Transcriptomic Landscapes Using Publicly Available Data.
van Tilborg D, Saccenti E.
van Tilborg D, et al.
Cancers (Basel). 2021 Jan 21;13(3):393. doi: 10.3390/cancers13030393.
Cancers (Basel). 2021.
PMID: 33494351
Free PMC article.
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