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Evaluation of machine-learning methods for ligand-based virtual screening.
Chen B, Harrison RF, Papadatos G, Willett P, Wood DJ, Lewell XQ, Greenidge P, Stiefl N. Chen B, et al. Among authors: papadatos g. J Comput Aided Mol Des. 2007 Jan-Mar;21(1-3):53-62. doi: 10.1007/s10822-006-9096-5. Epub 2007 Jan 5. J Comput Aided Mol Des. 2007. PMID: 17205373 Free article. Review.
Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate Prediction of Compound-Kinase Activities: A Way toward Selective Promiscuity by Design?
Christmann-Franck S, van Westen GJ, Papadatos G, Beltran Escudie F, Roberts A, Overington JP, Domine D. Christmann-Franck S, et al. Among authors: papadatos g. J Chem Inf Model. 2016 Sep 26;56(9):1654-75. doi: 10.1021/acs.jcim.6b00122. Epub 2016 Aug 11. J Chem Inf Model. 2016. PMID: 27482722 Free PMC article.
A large-scale crop protection bioassay data set.
Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. Gaulton A, et al. Among authors: papadatos g. Sci Data. 2015 Jul 7;2:150032. doi: 10.1038/sdata.2015.32. eCollection 2015. Sci Data. 2015. PMID: 26175909 Free PMC article.
47 results