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Table representation of search results timeline featuring number of search results per year.

Year Number of Results
1995 1
1996 3
1997 2
1998 1
1999 4
2001 3
2002 1
2004 4
2005 1
2006 3
2007 5
2008 3
2009 4
2010 5
2011 10
2012 17
2013 11
2014 9
2015 7
2016 9
2017 13
2018 4
2019 8
2020 8
2021 7
2022 14
2023 10
2024 5

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158 results

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Page 1
Redocking the PDB.
Flachsenberg F, Ehrt C, Gutermuth T, Rarey M. Flachsenberg F, et al. Among authors: rarey m. J Chem Inf Model. 2024 Jan 8;64(1):219-237. doi: 10.1021/acs.jcim.3c01573. Epub 2023 Dec 18. J Chem Inf Model. 2024. PMID: 38108627
Machine Learning in Drug Discovery.
Hochreiter S, Klambauer G, Rarey M. Hochreiter S, et al. Among authors: rarey m. J Chem Inf Model. 2018 Sep 24;58(9):1723-1724. doi: 10.1021/acs.jcim.8b00478. Epub 2018 Aug 15. J Chem Inf Model. 2018. PMID: 30109927 No abstract available.
Visualizing Generic Reaction Patterns.
Dolfus U, Briem H, Rarey M. Dolfus U, et al. Among authors: rarey m. J Chem Inf Model. 2022 Oct 10;62(19):4680-4689. doi: 10.1021/acs.jcim.2c00992. Epub 2022 Sep 28. J Chem Inf Model. 2022. PMID: 36169383
Navigating large chemical spaces in early-phase drug discovery.
Korn M, Ehrt C, Ruggiu F, Gastreich M, Rarey M. Korn M, et al. Among authors: rarey m. Curr Opin Struct Biol. 2023 Jun;80:102578. doi: 10.1016/j.sbi.2023.102578. Epub 2023 Apr 4. Curr Opin Struct Biol. 2023. PMID: 37019067 Free article. Review.
Synthesis-Aware Generation of Structural Analogues.
Dolfus U, Briem H, Rarey M. Dolfus U, et al. Among authors: rarey m. J Chem Inf Model. 2022 Aug 8;62(15):3565-3576. doi: 10.1021/acs.jcim.2c00246. Epub 2022 Jul 22. J Chem Inf Model. 2022. PMID: 35867908
School of cheminformatics in Latin America.
Gonzalez-Ponce K, Horta Andrade C, Hunter F, Kirchmair J, Martinez-Mayorga K, Medina-Franco JL, Rarey M, Tropsha A, Varnek A, Zdrazil B. Gonzalez-Ponce K, et al. Among authors: rarey m. J Cheminform. 2023 Sep 19;15(1):82. doi: 10.1186/s13321-023-00758-0. J Cheminform. 2023. PMID: 37726809 Free PMC article.
Letter from the editors.
Merz KM Jr, Rarey M, Tropsha A, Wahab HA. Merz KM Jr, et al. Among authors: rarey m. J Chem Inf Model. 2015 Apr 27;55(4):719-20. doi: 10.1021/acs.jcim.5b00180. J Chem Inf Model. 2015. PMID: 25912660 Free article. No abstract available.
The Art of Compiling Protein Binding Site Ensembles.
Bietz S, Fährrolfes R, Rarey M. Bietz S, et al. Among authors: rarey m. Mol Inform. 2016 Dec;35(11-12):593-598. doi: 10.1002/minf.201600043. Epub 2016 May 30. Mol Inform. 2016. PMID: 27870245 Review.
158 results