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Thomas Kleinöder

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Journal Articles

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2015
[j3]
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  dblp key:
  - journals/jcisd/YangTMBGKMSSSTA15
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  - https://dblp.org/rec/journals/jcisd/YangTMBGKMSSSTA15
Chihae Yang, Aleksey Tarkhov, Jörg Marusczyk, Bruno Bienfait, Johann Gasteiger, Thomas Kleinöder, Tomasz Magdziarz, Oliver Sacher, Christof H. Schwab, Johannes Schwöbel, Lothar Terfloth, Kirk Arvidson, Ann Richard, Andrew P. Worth, James Rathman:
New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and Modeling. J. Chem. Inf. Model. 55(3): 510-528 (2015)
2012
[j2]
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  - journals/jcheminf/SchwobelBGKMSSTTC12
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  - https://dblp.org/rec/journals/jcheminf/SchwobelBGKMSSTTC12
Johannes Schwöbel, Bruno Bienfait, Johann Gasteiger, Thomas Kleinöder, Jörg Marusczyk, Oliver Sacher, Christof H. Schwab, Aleksey Tarkhov, Lothar Terfloth, Mark T. D. Cronin:
Quantifying intrinsic chemical reactivity of molecular structural features for protein binding and reactive toxicity, using the MOSES chemoinformatics system. J. Cheminformatics 4(S-1): 8 (2012)
2006
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  - journals/jcisd/ZhangKG06
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Jinhua Zhang, Thomas Kleinöder, Johann Gasteiger:
Prediction of pK_a Values for Aliphatic Carboxylic Acids and Alcohols with Empirical Atomic Charge Descriptors. J. Chem. Inf. Model. 46(6): 2256-2266 (2006)

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