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Page 1
Legacy data sharing to improve drug safety assessment: the eTOX project.
Nat Rev Drug Discov. 2017 Dec;16(12):811-812. doi: 10.1038/nrd.2017.177. Epub 2017 Oct 13.
Nat Rev Drug Discov. 2017.
PMID: 29026211
Free article.
The eTOX data-sharing project to advance in silico drug-induced toxicity prediction.
Cases M, Briggs K, Steger-Hartmann T, Pognan F, Marc P, Kleinöder T, Schwab CH, Pastor M, Wichard J, Sanz F.
Cases M, et al. Among authors: kleinoder t.
Int J Mol Sci. 2014 Nov 14;15(11):21136-54. doi: 10.3390/ijms151121136.
Int J Mol Sci. 2014.
PMID: 25405742
Free PMC article.
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COMDECOM: predicting the lifetime of screening compounds in DMSO solution.
Zitha-Bovens E, Maas P, Wife D, Tijhuis J, Hu QN, Kleinöder T, Gasteiger J.
Zitha-Bovens E, et al. Among authors: kleinoder t.
J Biomol Screen. 2009 Jun;14(5):557-65. doi: 10.1177/1087057109336953. Epub 2009 May 29.
J Biomol Screen. 2009.
PMID: 19483143
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Integrative Modeling Strategies for Predicting Drug Toxicities at the eTOX Project.
Sanz F, Carrió P, López O, Capoferri L, Kooi DP, Vermeulen NP, Geerke DP, Montanari F, Ecker GF, Schwab CH, Kleinöder T, Magdziarz T, Pastor M.
Sanz F, et al. Among authors: kleinoder t.
Mol Inform. 2015 Jun;34(6-7):477-84. doi: 10.1002/minf.201400193. Epub 2015 Jun 11.
Mol Inform. 2015.
PMID: 27490391
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Prediction of pKa values for aliphatic carboxylic acids and alcohols with empirical atomic charge descriptors.
Zhang J, Kleinöder T, Gasteiger J.
Zhang J, et al. Among authors: kleinoder t.
J Chem Inf Model. 2006 Nov-Dec;46(6):2256-66. doi: 10.1021/ci060129d.
J Chem Inf Model. 2006.
PMID: 17125168
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