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Page 1
BDDCS, the Rule of 5 and drugability.
Benet LZ, Hosey CM, Ursu O, Oprea TI. Benet LZ, et al. Among authors: ursu o. Adv Drug Deliv Rev. 2016 Jun 1;101:89-98. doi: 10.1016/j.addr.2016.05.007. Epub 2016 May 13. Adv Drug Deliv Rev. 2016. PMID: 27182629 Free PMC article. Review.
Model-free drug-likeness from fragments.
Ursu O, Oprea TI. Ursu O, et al. J Chem Inf Model. 2010 Aug 23;50(8):1387-94. doi: 10.1021/ci100202p. J Chem Inf Model. 2010. PMID: 20726597
DrugCentral: online drug compendium.
Ursu O, Holmes J, Knockel J, Bologa CG, Yang JJ, Mathias SL, Nelson SJ, Oprea TI. Ursu O, et al. Nucleic Acids Res. 2017 Jan 4;45(D1):D932-D939. doi: 10.1093/nar/gkw993. Epub 2016 Oct 26. Nucleic Acids Res. 2017. PMID: 27789690 Free PMC article.
A comprehensive map of molecular drug targets.
Santos R, Ursu O, Gaulton A, Bento AP, Donadi RS, Bologa CG, Karlsson A, Al-Lazikani B, Hersey A, Oprea TI, Overington JP. Santos R, et al. Among authors: ursu o. Nat Rev Drug Discov. 2017 Jan;16(1):19-34. doi: 10.1038/nrd.2016.230. Epub 2016 Dec 2. Nat Rev Drug Discov. 2017. PMID: 27910877 Free PMC article. Review.
The CARLSBAD database: a confederated database of chemical bioactivities.
Mathias SL, Hines-Kay J, Yang JJ, Zahoransky-Kohalmi G, Bologa CG, Ursu O, Oprea TI. Mathias SL, et al. Among authors: ursu o. Database (Oxford). 2013 Jun 21;2013:bat044. doi: 10.1093/database/bat044. Print 2013. Database (Oxford). 2013. PMID: 23794735 Free PMC article.
Badapple: promiscuity patterns from noisy evidence.
Yang JJ, Ursu O, Lipinski CA, Sklar LA, Oprea TI, Bologa CG. Yang JJ, et al. Among authors: ursu o. J Cheminform. 2016 May 28;8:29. doi: 10.1186/s13321-016-0137-3. eCollection 2016. J Cheminform. 2016. PMID: 27239230 Free PMC article.
Formalizing drug indications on the road to therapeutic intent.
Nelson SJ, Oprea TI, Ursu O, Bologa CG, Zaveri A, Holmes J, Yang JJ, Mathias SL, Mani S, Tuttle MS, Dumontier M. Nelson SJ, et al. Among authors: ursu o. J Am Med Inform Assoc. 2017 Nov 1;24(6):1169-1172. doi: 10.1093/jamia/ocx064. J Am Med Inform Assoc. 2017. PMID: 29016968 Free PMC article.
Unexplored therapeutic opportunities in the human genome.
Oprea TI, Bologa CG, Brunak S, Campbell A, Gan GN, Gaulton A, Gomez SM, Guha R, Hersey A, Holmes J, Jadhav A, Jensen LJ, Johnson GL, Karlson A, Leach AR, Ma'ayan A, Malovannaya A, Mani S, Mathias SL, McManus MT, Meehan TF, von Mering C, Muthas D, Nguyen DT, Overington JP, Papadatos G, Qin J, Reich C, Roth BL, Schürer SC, Simeonov A, Sklar LA, Southall N, Tomita S, Tudose I, Ursu O, Vidovic D, Waller A, Westergaard D, Yang JJ, Zahoránszky-Köhalmi G. Oprea TI, et al. Among authors: ursu o. Nat Rev Drug Discov. 2018 May;17(5):317-332. doi: 10.1038/nrd.2018.14. Epub 2018 Mar 23. Nat Rev Drug Discov. 2018. PMID: 29472638 Free PMC article. Review.
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