These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
111 related articles for article (PubMed ID: 22465859)
21. DrugBank: a comprehensive resource for in silico drug discovery and exploration. Wishart DS; Knox C; Guo AC; Shrivastava S; Hassanali M; Stothard P; Chang Z; Woolsey J Nucleic Acids Res; 2006 Jan; 34(Database issue):D668-72. PubMed ID: 16381955 [TBL] [Abstract][Full Text] [Related]
22. [Strategy of molecular design of drugs: the unification of macro-properties and micro-structures of a molecule]. Guo ZR Yao Xue Xue Bao; 2008 Mar; 43(3):227-33. PubMed ID: 18630256 [TBL] [Abstract][Full Text] [Related]
23. Enumeration of 166 billion organic small molecules in the chemical universe database GDB-17. Ruddigkeit L; van Deursen R; Blum LC; Reymond JL J Chem Inf Model; 2012 Nov; 52(11):2864-75. PubMed ID: 23088335 [TBL] [Abstract][Full Text] [Related]
25. Database of bioactive ring systems with calculated properties and its use in bioisosteric design and scaffold hopping. Ertl P Bioorg Med Chem; 2012 Sep; 20(18):5436-42. PubMed ID: 22436390 [TBL] [Abstract][Full Text] [Related]
26. Virtual exploration of the chemical universe up to 11 atoms of C, N, O, F: assembly of 26.4 million structures (110.9 million stereoisomers) and analysis for new ring systems, stereochemistry, physicochemical properties, compound classes, and drug discovery. Fink T; Reymond JL J Chem Inf Model; 2007; 47(2):342-53. PubMed ID: 17260980 [TBL] [Abstract][Full Text] [Related]
27. "Bayes affinity fingerprints" improve retrieval rates in virtual screening and define orthogonal bioactivity space: when are multitarget drugs a feasible concept? Bender A; Jenkins JL; Glick M; Deng Z; Nettles JH; Davies JW J Chem Inf Model; 2006; 46(6):2445-56. PubMed ID: 17125186 [TBL] [Abstract][Full Text] [Related]
28. Electron-density descriptors as predictors in quantitative structure--activity/property relationships and drug design. Matta CF; Arabi AA Future Med Chem; 2011 Jun; 3(8):969-94. PubMed ID: 21707400 [TBL] [Abstract][Full Text] [Related]
29. Drugs in other drugs: a new look at drugs as fragments. Siegel MG; Vieth M Drug Discov Today; 2007 Jan; 12(1-2):71-9. PubMed ID: 17198975 [TBL] [Abstract][Full Text] [Related]
30. Many drugs contain unique scaffolds with varying structural relationships to scaffolds of currently available bioactive compounds. Hu Y; Bajorath J Eur J Med Chem; 2014 Apr; 76():427-34. PubMed ID: 24602788 [TBL] [Abstract][Full Text] [Related]
31. Representing clusters using a maximum common edge substructure algorithm applied to reduced graphs and molecular graphs. Gardiner EJ; Gillet VJ; Willett P; Cosgrove DA J Chem Inf Model; 2007; 47(2):354-66. PubMed ID: 17309248 [TBL] [Abstract][Full Text] [Related]
32. Chemotography for multi-target SAR analysis in the context of biological pathways. Lounkine E; Kutchukian P; Petrone P; Davies JW; Glick M Bioorg Med Chem; 2012 Sep; 20(18):5416-27. PubMed ID: 22405595 [TBL] [Abstract][Full Text] [Related]
33. Assessing relative bioactivity of chemical substances using quantitative molecular network topology analysis. Edberg A; Soeria-Atmadja D; Bergman Laurila J; Johansson F; Gustafsson MG; Hammerling U J Chem Inf Model; 2012 May; 52(5):1238-49. PubMed ID: 22482822 [TBL] [Abstract][Full Text] [Related]
34. Mapping human metabolic pathways in the small molecule chemical space. Macchiarulo A; Thornton JM; Nobeli I J Chem Inf Model; 2009 Oct; 49(10):2272-89. PubMed ID: 19795883 [TBL] [Abstract][Full Text] [Related]
35. Characteristics of known drug space. Natural products, their derivatives and synthetic drugs. Bade R; Chan HF; Reynisson J Eur J Med Chem; 2010 Dec; 45(12):5646-52. PubMed ID: 20888084 [TBL] [Abstract][Full Text] [Related]
36. Size estimation of chemical space: how big is it? Drew KL; Baiman H; Khwaounjoo P; Yu B; Reynisson J J Pharm Pharmacol; 2012 Apr; 64(4):490-5. PubMed ID: 22420655 [TBL] [Abstract][Full Text] [Related]
37. Activity-aware clustering of high throughput screening data and elucidation of orthogonal structure-activity relationships. Lounkine E; Nigsch F; Jenkins JL; Glick M J Chem Inf Model; 2011 Dec; 51(12):3158-68. PubMed ID: 22098146 [TBL] [Abstract][Full Text] [Related]
38. Predicting myelosuppression of drugs from in silico models. Crivori P; Pennella G; Magistrelli M; Grossi P; Giusti AM J Chem Inf Model; 2011 Feb; 51(2):434-45. PubMed ID: 21275392 [TBL] [Abstract][Full Text] [Related]