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"DompeKeys": a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases.
Manelfi C, Tazzari V, Lunghini F, Cerchia C, Fava A, Pedretti A, Stouten PFW, Vistoli G, Beccari AR. Manelfi C, et al. Among authors: stouten pfw. J Cheminform. 2024 Feb 23;16(1):21. doi: 10.1186/s13321-024-00813-4. J Cheminform. 2024. PMID: 38395961 Free PMC article.
Large-Scale Modeling of Sparse Protein Kinase Activity Data.
Luukkonen S, Meijer E, Tricarico GA, Hofmans J, Stouten PFW, van Westen GJP, Lenselink EB. Luukkonen S, et al. Among authors: stouten pfw. J Chem Inf Model. 2023 Jun 26;63(12):3688-3696. doi: 10.1021/acs.jcim.3c00132. Epub 2023 Jun 9. J Chem Inf Model. 2023. PMID: 37294674 Free PMC article.
Reinvestigation of the Branimycin Stereochemistry at Position 17-C.
Čikoš A, Triballeau N, Hubbard PA, Žiher D, Stouten PF, Doyon JG, Deschrijver T, Wouters J, Lépine RH, Saniere L. Čikoš A, et al. Org Lett. 2016 Feb 19;18(4):780-3. doi: 10.1021/acs.orglett.6b00044. Epub 2016 Feb 5. Org Lett. 2016. PMID: 26849068
Strategies for small molecule library design.
Sheppard DW, Lipkin MJ, Harris CJ, Catana C, Stouten PF. Sheppard DW, et al. Curr Pharm Des. 2014;20(20):3314-22. doi: 10.2174/13816128113199990602. Curr Pharm Des. 2014. PMID: 23947648 Review.
The design and application of target-focused compound libraries.
Harris CJ, Hill RD, Sheppard DW, Slater MJ, Stouten PF. Harris CJ, et al. Comb Chem High Throughput Screen. 2011 Jul;14(6):521-31. doi: 10.2174/138620711795767802. Comb Chem High Throughput Screen. 2011. PMID: 21521154 Free PMC article.
16 results