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Year | Number of Results |
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2019 | 1 |
2021 | 1 |
2022 | 3 |
2024 | 2 |
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Page 1
Tackling assay interference associated with small molecules.
Nat Rev Chem. 2024 Apr 15. doi: 10.1038/s41570-024-00593-3. Online ahead of print.
Nat Rev Chem. 2024.
PMID: 38622244
Review.
Ring systems in natural products: structural diversity, physicochemical properties, and coverage by synthetic compounds.
Chen Y, Rosenkranz C, Hirte S, Kirchmair J.
Chen Y, et al. Among authors: hirte s.
Nat Prod Rep. 2022 Aug 17;39(8):1544-1556. doi: 10.1039/d2np00001f.
Nat Prod Rep. 2022.
PMID: 35708009
Review.
Item in Clipboard
Development and Experimental Validation of Regularized Machine Learning Models Detecting New, Structurally Distinct Activators of PXR.
Hirte S, Burk O, Tahir A, Schwab M, Windshügel B, Kirchmair J.
Hirte S, et al.
Cells. 2022 Apr 7;11(8):1253. doi: 10.3390/cells11081253.
Cells. 2022.
PMID: 35455933
Free PMC article.
Item in Clipboard
Active Learning Approach for Guiding Site-of-Metabolism Measurement and Annotation.
Chen Y, Seidel T, Jacob RA, Hirte S, Mazzolari A, Pedretti A, Vistoli G, Langer T, Miljković F, Kirchmair J.
Chen Y, et al. Among authors: hirte s.
J Chem Inf Model. 2024 Jan 22;64(2):348-358. doi: 10.1021/acs.jcim.3c01588. Epub 2024 Jan 3.
J Chem Inf Model. 2024.
PMID: 38170877
Free PMC article.
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Predicting the Skin Sensitization Potential of Small Molecules with Machine Learning Models Trained on Biologically Meaningful Descriptors.
Wilm A, Garcia de Lomana M, Stork C, Mathai N, Hirte S, Norinder U, Kühnl J, Kirchmair J.
Wilm A, et al. Among authors: hirte s.
Pharmaceuticals (Basel). 2021 Aug 11;14(8):790. doi: 10.3390/ph14080790.
Pharmaceuticals (Basel). 2021.
PMID: 34451887
Free PMC article.
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Maximizing the Performance of Similarity-Based Virtual Screening Methods by Generating Synergy from the Integration of 2D and 3D Approaches.
Fan N, Hirte S, Kirchmair J.
Fan N, et al. Among authors: hirte s.
Int J Mol Sci. 2022 Jul 13;23(14):7747. doi: 10.3390/ijms23147747.
Int J Mol Sci. 2022.
PMID: 35887097
Free PMC article.
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NP-Scout: Machine Learning Approach for the Quantification and Visualization of the Natural Product-Likeness of Small Molecules.
Chen Y, Stork C, Hirte S, Kirchmair J.
Chen Y, et al. Among authors: hirte s.
Biomolecules. 2019 Jan 24;9(2):43. doi: 10.3390/biom9020043.
Biomolecules. 2019.
PMID: 30682850
Free PMC article.
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