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QSAR classification model for antibacterial compounds and its use in virtual screening.
Singh N, Chaudhury S, Liu R, AbdulHameed MD, Tawa G, Wallqvist A. Singh N, et al. J Chem Inf Model. 2012 Oct 22;52(10):2559-69. doi: 10.1021/ci300336v. Epub 2012 Oct 8. J Chem Inf Model. 2012. PMID: 23013546
Merging applicability domains for in silico assessment of chemical mutagenicity.
Liu R, Wallqvist A. Liu R, et al. J Chem Inf Model. 2014 Mar 24;54(3):793-800. doi: 10.1021/ci500016v. Epub 2014 Feb 14. J Chem Inf Model. 2014. PMID: 24494696
General Purpose 2D and 3D Similarity Approach to Identify hERG Blockers.
Schyman P, Liu R, Wallqvist A. Schyman P, et al. J Chem Inf Model. 2016 Jan 25;56(1):213-22. doi: 10.1021/acs.jcim.5b00616. Epub 2016 Jan 8. J Chem Inf Model. 2016. PMID: 26718126
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