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Capturing and applying knowledge to guide compound optimisation.
Drug Discov Today. 2019 May;24(5):1074-1080. doi: 10.1016/j.drudis.2019.02.004. Epub 2019 Feb 19.
Drug Discov Today. 2019.
PMID: 30794861
Review.
Breaking free from chemical spreadsheets.
Segall M, Champness E, Leeding C, Chisholm J, Hunt P, Elliott A, Garcia-Martinez H, Foster N, Dowling S.
Segall M, et al. Among authors: champness e.
Drug Discov Today. 2015 Sep;20(9):1093-103. doi: 10.1016/j.drudis.2015.03.008. Epub 2015 Jun 4.
Drug Discov Today. 2015.
PMID: 26050579
Review.
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Applying medicinal chemistry transformations and multiparameter optimization to guide the search for high-quality leads and candidates.
Segall M, Champness E, Leeding C, Lilien R, Mettu R, Stevens B.
Segall M, et al. Among authors: champness e.
J Chem Inf Model. 2011 Nov 28;51(11):2967-76. doi: 10.1021/ci2003208. Epub 2011 Oct 18.
J Chem Inf Model. 2011.
PMID: 21981548
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The challenges of making decisions using uncertain data.
Segall MD, Champness EJ.
Segall MD, et al. Among authors: champness ej.
J Comput Aided Mol Des. 2015 Sep;29(9):809-16. doi: 10.1007/s10822-015-9855-2. Epub 2015 Jul 1.
J Comput Aided Mol Des. 2015.
PMID: 26126976
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Beyond profiling: using ADMET models to guide decisions.
Segall M, Champness E, Obrezanova O, Leeding C.
Segall M, et al. Among authors: champness e.
Chem Biodivers. 2009 Nov;6(11):2144-51. doi: 10.1002/cbdv.200900148.
Chem Biodivers. 2009.
PMID: 19937845
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Avoiding Missed Opportunities by Analyzing the Sensitivity of Our Decisions.
Segall MD, Yusof I, Champness EJ.
Segall MD, et al. Among authors: champness ej.
J Med Chem. 2016 May 12;59(9):4267-77. doi: 10.1021/acs.jmedchem.5b01921. Epub 2016 Mar 18.
J Med Chem. 2016.
PMID: 26901568
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Alternative variables in drug discovery: promises and challenges.
Abad-Zapatero C, Champness EJ, Segall MD.
Abad-Zapatero C, et al. Among authors: champness ej.
Future Med Chem. 2014 Apr;6(5):577-93. doi: 10.4155/fmc.14.16.
Future Med Chem. 2014.
PMID: 24649959
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Automatic QSAR modeling of ADME properties: blood-brain barrier penetration and aqueous solubility.
Obrezanova O, Gola JM, Champness EJ, Segall MD.
Obrezanova O, et al. Among authors: champness ej.
J Comput Aided Mol Des. 2008 Jun-Jul;22(6-7):431-40. doi: 10.1007/s10822-008-9193-8. Epub 2008 Feb 14.
J Comput Aided Mol Des. 2008.
PMID: 18273554
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