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Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuition.
J Cheminform. 2024 Apr 4;16(1):39. doi: 10.1186/s13321-024-00824-1.
J Cheminform. 2024.
PMID: 38576047
Free PMC article.
Proteochemometric Modeling Identifies Chemically Diverse Norepinephrine Transporter Inhibitors.
Bongers BJ, Sijben HJ, Hartog PBR, Tarnovskiy A, IJzerman AP, Heitman LH, van Westen GJP.
Bongers BJ, et al. Among authors: hartog pbr.
J Chem Inf Model. 2023 Mar 27;63(6):1745-1755. doi: 10.1021/acs.jcim.2c01645. Epub 2023 Mar 16.
J Chem Inf Model. 2023.
PMID: 36926886
Free PMC article.
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Label-free high-throughput screening assay for the identification of norepinephrine transporter (NET/SLC6A2) inhibitors.
Sijben HJ, van Oostveen WM, Hartog PBR, Stucchi L, Rossignoli A, Maresca G, Scarabottolo L, IJzerman AP, Heitman LH.
Sijben HJ, et al. Among authors: hartog pbr.
Sci Rep. 2021 Jun 10;11(1):12290. doi: 10.1038/s41598-021-91700-7.
Sci Rep. 2021.
PMID: 34112854
Free PMC article.
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