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A surface-integral model for log P OW.
Kramer C, Beck B, Clark T. Kramer C, et al. J Chem Inf Model. 2010 Mar 22;50(3):429-36. doi: 10.1021/ci900431f. J Chem Inf Model. 2010. PMID: 20108914
Conformation-dependent QSPR models: logPOW.
Muehlbacher M, El Kerdawy A, Kramer C, Hudson B, Clark T. Muehlbacher M, et al. Among authors: kramer c. J Chem Inf Model. 2011 Sep 26;51(9):2408-16. doi: 10.1021/ci200276v. Epub 2011 Aug 29. J Chem Inf Model. 2011. PMID: 21842864
11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.
Fechner U, de Graaf C, Torda AE, Güssregen S, Evers A, Matter H, Hessler G, Richmond NJ, Schmidtke P, Segler MHS, Waller MP, Pleik S, Shea JE, Levine Z, Mullen R, van den Broek K, Epple M, Kuhn H, Truszkowski A, Zielesny A, Fraaije JH, Gracia RS, Kast SM, Bulusu KC, Bender A, Yosipof A, Nahum O, Senderowitz H, Krotzky T, Schulz R, Wolber G, Bietz S, Rarey M, Zimmermann MO, Lange A, Ruff M, Heidrich J, Onlia I, Exner TE, Boeckler FM, Bermudez M, Firaha DS, Hollóczki O, Kirchner B, Tautermann CS, Volkamer A, Eid S, Turk S, Rippmann F, Fulle S, Saleh N, Saladino G, Gervasio FL, Haensele E, Banting L, Whitley DC, Oliveira Santos JS, Bureau R, Clark T, Sandmann A, Lanig H, Kibies P, Heil J, Hoffgaard F, Frach R, Engel J, Smith S, Basu D, Rauh D, Kohlbacher O, Boeckler FM, Essex JW, Bodnarchuk MS, Ross GA, Finkelmann AR, Göller AH, Schneider G, Husch T, Schütter C, Balducci A, Korth M, Ntie-Kang F, Günther S, Sippl W, Mbaze LM, Ntie-Kang F, Simoben CV, Lifongo LL, Ntie-Kang F, Judson P, Barilla J, Lokajíček MV, Pisaková H, Simr P, Kireeva N, Petrov A, Ostroumov D, Solovev VP, Pervov VS, Friedrich NO, Sommer K, Rarey M, Kirchmair J, Proschak E, Weber J, Moser D, Kalinowski L, Achenbach J… See abstract for full author list ➔ Fechner U, et al. Among authors: kramer c. J Cheminform. 2016 Apr 26;8(Suppl 1):18. doi: 10.1186/s13321-016-0119-5. J Cheminform. 2016. PMID: 29270804 Free PMC article. No abstract available.
A composite model for HERG blockade.
Kramer C, Beck B, Kriegl JM, Clark T. Kramer C, et al. ChemMedChem. 2008 Feb;3(2):254-65. doi: 10.1002/cmdc.200700221. ChemMedChem. 2008. PMID: 18061919
The Playbooks of Medicinal Chemistry Design Moves.
Awale M, Hert J, Guasch L, Riniker S, Kramer C. Awale M, et al. Among authors: kramer c. J Chem Inf Model. 2021 Feb 22;61(2):729-742. doi: 10.1021/acs.jcim.0c01143. Epub 2021 Feb 1. J Chem Inf Model. 2021. PMID: 33522806
1,165 results