Johannes Schwöbel - researchr alias

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Viewing Publication 1 - 5 from 5

2015

New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and ModelingChihae 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. jcisd, 55(3):510-528, 2015. [doi]

2012

Quantifying intrinsic chemical reactivity of molecular structural features for protein binding and reactive toxicity, using the MOSES chemoinformatics systemJohannes Schwöbel, Bruno Bienfait, Johann Gasteiger, Thomas Kleinöder, Jörg Marusczyk, Oliver Sacher, Christof H. Schwab, Aleksey Tarkhov, Lothar Terfloth, Mark T. D. Cronin. jcheminf, 4(S-1):8, 2012. [doi]

2011

Application of a chemical reactivity database to predict toxicity for reactive mechanismsJohannes Schwöbel, Judith C. Madden, Mark T. D. Cronin. jcheminf, 3(S-1):18, 2011. [doi]

2009

Modeling the H bond donor strength of -OH, -NH, and -CH sites by local molecular parametersJohannes Schwöbel, Ralf-Uwe Ebert, Ralph Kühne, Gerrit Schüürmann. jcc, 30(9):1454-1464, 2009. [doi]

Prediction of the Intrinsic Hydrogen Bond Acceptor Strength of Organic Compounds by Local Molecular ParametersJohannes Schwöbel, Ralf-Uwe Ebert, Ralph Kühne, Gerrit Schüürmann. jcisd, 49(4):956-962, 2009. [doi]

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