139 related articles for article (PubMed ID: 16452799)
21. EvoMD: an algorithm for evolutionary molecular design.
Wong SS; Luo W; Chan KC
IEEE/ACM Trans Comput Biol Bioinform; 2011; 8(4):987-1003. PubMed ID: 20876937
[TBL] [Abstract][Full Text] [Related]
22. An efficient randomized algorithm for contact-based NMR backbone resonance assignment.
Kamisetty H; Bailey-Kellogg C; Pandurangan G
Bioinformatics; 2006 Jan; 22(2):172-80. PubMed ID: 16287932
[TBL] [Abstract][Full Text] [Related]
23. Comparison of the NCI open database with seven large chemical structural databases.
Voigt JH; Bienfait B; Wang S; Nicklaus MC
J Chem Inf Comput Sci; 2001; 41(3):702-12. PubMed ID: 11410049
[TBL] [Abstract][Full Text] [Related]
24. Advanced exact structure searching in large databases of chemical compounds.
Trepalin SV; Skorenko AV; Balakin KV; Nasonov AF; Lang SA; Ivashchenko AA; Savchuk NP
J Chem Inf Comput Sci; 2003; 43(3):852-60. PubMed ID: 12767143
[TBL] [Abstract][Full Text] [Related]
25. Modeling of human cytochrome p450-mediated drug metabolism using unsupervised machine learning approach.
Korolev D; Balakin KV; Nikolsky Y; Kirillov E; Ivanenkov YA; Savchuk NP; Ivashchenko AA; Nikolskaya T
J Med Chem; 2003 Aug; 46(17):3631-43. PubMed ID: 12904067
[TBL] [Abstract][Full Text] [Related]
26. Building k-connected neighborhood graphs for isometric data embedding.
Yang L
IEEE Trans Pattern Anal Mach Intell; 2006 May; 28(5):827-31. PubMed ID: 16640268
[TBL] [Abstract][Full Text] [Related]
27. Topological fisheye views for visualizing large graphs.
Gansner ER; Koren Y; North SC
IEEE Trans Vis Comput Graph; 2005; 11(4):457-68. PubMed ID: 16138555
[TBL] [Abstract][Full Text] [Related]
28. Using ChemBank to probe chemical biology.
Petri Seiler K; Kuehn H; Pat Happ M; DeCaprio D; Clemons PA
Curr Protoc Bioinformatics; 2008 Jun; Chapter 14():14.5.1-14.5.26. PubMed ID: 18551413
[TBL] [Abstract][Full Text] [Related]
29. A simple method to improve the odds in finding 'lead-like' compounds from chemical libraries.
Horio K; Muta H; Goto J; Hirayama N
Chem Pharm Bull (Tokyo); 2007 Jul; 55(7):980-4. PubMed ID: 17603185
[TBL] [Abstract][Full Text] [Related]
30. Mediator infrastructure for information integration and semantic data integration environment for biomedical research.
Grethe JS; Ross E; Little D; Sanders B; Gupta A; Astakhov V
Methods Mol Biol; 2009; 569():33-53. PubMed ID: 19623485
[TBL] [Abstract][Full Text] [Related]
31. Representation and searching of carbohydrate structures using graph-theoretic techniques.
Bruno IJ; Kemp NM; Artymiuk PJ; Willett P
Carbohydr Res; 1997 Oct; 304(1):61-7. PubMed ID: 9403995
[TBL] [Abstract][Full Text] [Related]
32. Stigmata: an algorithm to determine structural commonalities in diverse datasets.
Shemetulskis NE; Weininger D; Blankley CJ; Yang JJ; Humblet C
J Chem Inf Comput Sci; 1996; 36(4):862-71. PubMed ID: 8768771
[TBL] [Abstract][Full Text] [Related]
33. 970 million druglike small molecules for virtual screening in the chemical universe database GDB-13.
Blum LC; Reymond JL
J Am Chem Soc; 2009 Jul; 131(25):8732-3. PubMed ID: 19505099
[TBL] [Abstract][Full Text] [Related]
34. CPDB: Carcinogenic Potency Database.
Fitzpatrick RB
Med Ref Serv Q; 2008; 27(3):303-11. PubMed ID: 19042710
[TBL] [Abstract][Full Text] [Related]
35. Inferring anatomical therapeutic chemical (ATC) class of drugs using shortest path and random walk with restart algorithms.
Chen L; Liu T; Zhao X
Biochim Biophys Acta Mol Basis Dis; 2018 Jun; 1864(6 Pt B):2228-2240. PubMed ID: 29247833
[TBL] [Abstract][Full Text] [Related]
36. Key-Node-Separated Graph Clustering and Layouts for Human Relationship Graph Visualization.
Itoh T; Klein K
IEEE Comput Graph Appl; 2015; 35(6):30-40. PubMed ID: 26415161
[TBL] [Abstract][Full Text] [Related]
37. Modeling a description logic vocabulary for cancer research.
Hartel FW; de Coronado S; Dionne R; Fragoso G; Golbeck J
J Biomed Inform; 2005 Apr; 38(2):114-29. PubMed ID: 15797001
[TBL] [Abstract][Full Text] [Related]
38. caBIONet--A .NET wrapper to access and process genomic data stored at the National Cancer Institute's Center for Bioinformatics databases.
Kraj P; McIndoe RA
Bioinformatics; 2005 Aug; 21(16):3456-8. PubMed ID: 15961441
[TBL] [Abstract][Full Text] [Related]
39. Web-based tools for mining the NCI databases for anticancer drug discovery.
Fang X; Shao L; Zhang H; Wang S
J Chem Inf Comput Sci; 2004; 44(1):249-57. PubMed ID: 14741034
[TBL] [Abstract][Full Text] [Related]
40. Comparison of 2D fingerprint methods for multiple-template similarity searching on compound activity classes of increasing structural diversity.
Tovar A; Eckert H; Bajorath J
ChemMedChem; 2007 Feb; 2(2):208-17. PubMed ID: 17143917
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
