The eTOX data-sharing project to advance in silico drug-induced toxicity prediction
Cases, Montserrat, Briggs, Katharine, Steger-Hartmann, Thomas, Pognan, François, Marc, Philippe, Kleinöder, Thomas, Schwab, Christof H, Pastor, Manuel, Wichard, Jörg, Sanz, Ferran
Published in International journal of molecular sciences (14.11.2014)
Published in International journal of molecular sciences (14.11.2014)
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Journal Article
New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and Modeling
Yang, Chihae, Tarkhov, Aleksey, Marusczyk, Jörg, Bienfait, Bruno, Gasteiger, Johann, Kleinoeder, Thomas, Magdziarz, Tomasz, Sacher, Oliver, Schwab, Christof H, Schwoebel, Johannes, Terfloth, Lothar, Arvidson, Kirk, Richard, Ann, Worth, Andrew, Rathman, James
Published in Journal of chemical information and modeling (23.03.2015)
Published in Journal of chemical information and modeling (23.03.2015)
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Journal Article
Inroads to predict in vivo toxicology-an introduction to the eTOX Project
Briggs, Katharine, Cases, Montserrat, Heard, David J, Pastor, Manuel, Pognan, François, Sanz, Ferran, Schwab, Christof H, Steger-Hartmann, Thomas, Sutter, Andreas, Watson, David K, Wichard, Jörg D
Published in International Journal of Molecular Sciences (01.03.2012)
Published in International Journal of Molecular Sciences (01.03.2012)
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Journal Article
Book Review
Integrative Modeling Strategies for Predicting Drug Toxicities at the eTOX Project
Sanz, Ferran, Carrió, Pau, López, Oriol, Capoferri, Luigi, Kooi, Derk P., Vermeulen, Nico P. E., Geerke, Daan P., Montanari, Floriane, Ecker, Gerhard F., Schwab, Christof H., Kleinöder, Thomas, Magdziarz, Tomasz, Pastor, Manuel
Published in Molecular informatics (01.06.2015)
Published in Molecular informatics (01.06.2015)
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Second-generation de novo design: a view from a medicinal chemist perspective
Zaliani, Andrea, Boda, Krisztina, Seidel, Thomas, Herwig, Achim, Schwab, Christof H., Gasteiger, Johann, Claußen, Holger, Lemmen, Christian, Degen, Jörg, Pärn, Juri, Rarey, Matthias
Published in Journal of computer-aided molecular design (01.08.2009)
Published in Journal of computer-aided molecular design (01.08.2009)
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Quantifying intrinsic chemical reactivity of molecular structural features for protein binding and reactive toxicity, using the MOSES chemoinformatics system
Schwöbel, Johannes AH, Bienfait, Bruno, Gasteiger, Johann, Kleinöder, Thomas, Marusczyk, Jörg, Sacher, Oliver, Schwab, Christof H, Tarkhov, Aleksey, Terfloth, Lothar, Cronin, Mark TD
Published in Journal of cheminformatics (01.05.2012)
Published in Journal of cheminformatics (01.05.2012)
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Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
Sushko, Iurii, Novotarskyi, Sergii, Körner, Robert, Pandey, Anil Kumar, Rupp, Matthias, Teetz, Wolfram, Brandmaier, Stefan, Abdelaziz, Ahmed, Prokopenko, Volodymyr V., Tanchuk, Vsevolod Y., Todeschini, Roberto, Varnek, Alexandre, Marcou, Gilles, Ertl, Peter, Potemkin, Vladimir, Grishina, Maria, Gasteiger, Johann, Schwab, Christof, Baskin, Igor I., Palyulin, Vladimir A., Radchenko, Eugene V., Welsh, William J., Kholodovych, Vladyslav, Chekmarev, Dmitriy, Cherkasov, Artem, Aires-de-Sousa, Joao, Zhang, Qing-You, Bender, Andreas, Nigsch, Florian, Patiny, Luc, Williams, Antony, Tkachenko, Valery, Tetko, Igor V.
Published in Journal of computer-aided molecular design (01.06.2011)
Published in Journal of computer-aided molecular design (01.06.2011)
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Journal Article
Toward establishing a standardized process and tool within the read-across workflow: A case study of agrochemicals for reproductive toxicity
Kovarich, Simona, Bienfait, Bruno, Ceriani, Lidia, Fioravanzo, Elena, Kleinoeder, Thomas, Marusczyk, Joerg, Mostrag, Aleksandra, Pavan, Manuela, Rathman, James, Sacher, Oliver, Schwab, Christof, Tarkhov, Aleksey, Yang, Chihae
Published in Toxicology letters (20.10.2017)
Published in Toxicology letters (20.10.2017)
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Journal Article
Supporting data-mining, read-across and chemical space analysis for toxicity data gap filling using the COSMOS database
Schwab, Christof, Yang, Chihae, Rathman, James, Mostrag-Szlichtyng, Aleksandra, Tarkhov, Aleksey, Liu, Jie, Madden, Judith, Bassan, Arianna, Fioravanzo, Elena, Cronin, Mark
Published in Toxicology letters (20.10.2017)
Published in Toxicology letters (20.10.2017)
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Journal Article
Molecular Modeling of Fullerene Dendrimers
Schönberger, Hubert, Schwab, Christof H., Hirsch, Andreas, Gasteiger>, Johann
Published in Journal of molecular modeling (01.01.2000)
Published in Journal of molecular modeling (01.01.2000)
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Journal Article
Verfahren und System zur Kommunikation mit Reisenden
HEIMANNSFELD, KLAUS, FRICKE, HANSRISTIAN, BAUMGARTEN, HANS-GEORG, SCHWAB, CHRISTOF
Year of Publication 19.03.2003
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Year of Publication 19.03.2003
Patent
Journey monitoring
HEIMANNSFELD, KLAUS, SEEWALD, MAIK, FRICKE, HANSRISTIAN, BAUMGARTEN, HANS-GEORG, SCHWAB, CHRISTOF
Year of Publication 02.04.2003
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Year of Publication 02.04.2003
Patent