247 related articles for article (PubMed ID: 17125165)
1. Analysis of data fusion methods in virtual screening: similarity and group fusion.
Whittle M; Gillet VJ; Willett P; Loesel J
J Chem Inf Model; 2006; 46(6):2206-19. PubMed ID: 17125165
[TBL] [Abstract][Full Text] [Related]
2. Analysis of data fusion methods in virtual screening: theoretical model.
Whittle M; Gillet VJ; Willett P; Loesel J
J Chem Inf Model; 2006; 46(6):2193-205. PubMed ID: 17125164
[TBL] [Abstract][Full Text] [Related]
3. Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures.
Hert J; Willett P; Wilton DJ; Acklin P; Azzaoui K; Jacoby E; Schuffenhauer A
Org Biomol Chem; 2004 Nov; 2(22):3256-66. PubMed ID: 15534703
[TBL] [Abstract][Full Text] [Related]
4. NIPALSTREE: a new hierarchical clustering approach for large compound libraries and its application to virtual screening.
Böcker A; Schneider G; Teckentrup A
J Chem Inf Model; 2006; 46(6):2220-9. PubMed ID: 17125166
[TBL] [Abstract][Full Text] [Related]
5. Enhancing the effectiveness of virtual screening by fusing nearest neighbor lists: a comparison of similarity coefficients.
Whittle M; Gillet VJ; Willett P; Alex A; Loesel J
J Chem Inf Comput Sci; 2004; 44(5):1840-8. PubMed ID: 15446844
[TBL] [Abstract][Full Text] [Related]
6. Novel 2D fingerprints for ligand-based virtual screening.
Ewing T; Baber JC; Feher M
J Chem Inf Model; 2006; 46(6):2423-31. PubMed ID: 17125184
[TBL] [Abstract][Full Text] [Related]
7. Novel technologies for virtual screening.
Lengauer T; Lemmen C; Rarey M; Zimmermann M
Drug Discov Today; 2004 Jan; 9(1):27-34. PubMed ID: 14761803
[TBL] [Abstract][Full Text] [Related]
8. Applications of self-organizing neural networks in virtual screening and diversity selection.
Selzer P; Ertl P
J Chem Inf Model; 2006; 46(6):2319-23. PubMed ID: 17125175
[TBL] [Abstract][Full Text] [Related]
9. Enhancing the effectiveness of similarity-based virtual screening using nearest-neighbor information.
Hert J; Willett P; Wilton DJ; Acklin P; Azzaoui K; Jacoby E; Schuffenhauer A
J Med Chem; 2005 Nov; 48(22):7049-54. PubMed ID: 16250664
[TBL] [Abstract][Full Text] [Related]
10. New methods for ligand-based virtual screening: use of data fusion and machine learning to enhance the effectiveness of similarity searching.
Hert J; Willett P; Wilton DJ; Acklin P; Azzaoui K; Jacoby E; Schuffenhauer A
J Chem Inf Model; 2006; 46(2):462-70. PubMed ID: 16562973
[TBL] [Abstract][Full Text] [Related]
11. Hit-directed nearest-neighbor searching.
Shanmugasundaram V; Maggiora GM; Lajiness MS
J Med Chem; 2005 Jan; 48(1):240-8. PubMed ID: 15634017
[TBL] [Abstract][Full Text] [Related]
12. A similarity-based data-fusion approach to the visual characterization and comparison of compound databases.
Medina-Franco JL; Maggiora GM; Giulianotti MA; Pinilla C; Houghten RA
Chem Biol Drug Des; 2007 Nov; 70(5):393-412. PubMed ID: 17927720
[TBL] [Abstract][Full Text] [Related]
13. Screening for drug discovery: the leading question.
Smith A
Nature; 2002 Jul; 418(6896):453-9. PubMed ID: 12140563
[No Abstract] [Full Text] [Related]
14. Use of reduced graphs to encode bioisosterism for similarity-based virtual screening.
Birchall K; Gillet VJ; Willett P; Ducrot P; Luttmann C
J Chem Inf Model; 2009 Jun; 49(6):1330-46. PubMed ID: 19485397
[TBL] [Abstract][Full Text] [Related]
15. Similarity search profiles as a diagnostic tool for the analysis of virtual screening calculations.
Xue L; Godden JW; Stahura FL; Bajorath J
J Chem Inf Comput Sci; 2004; 44(4):1275-81. PubMed ID: 15272835
[TBL] [Abstract][Full Text] [Related]
16. Exploring the chemogenomic knowledge space with annotated chemical libraries.
Savchuk NP; Balakin KV; Tkachenko SE
Curr Opin Chem Biol; 2004 Aug; 8(4):412-7. PubMed ID: 15288252
[TBL] [Abstract][Full Text] [Related]
17. Virtual screening for R-groups, including predicted pIC50 contributions, within large structural databases, using Topomer CoMFA.
Cramer RD; Cruz P; Stahl G; Curtiss WC; Campbell B; Masek BB; Soltanshahi F
J Chem Inf Model; 2008 Nov; 48(11):2180-95. PubMed ID: 18956863
[TBL] [Abstract][Full Text] [Related]
18. Pursuing the leadlikeness concept in pharmaceutical research.
Hann MM; Oprea TI
Curr Opin Chem Biol; 2004 Jun; 8(3):255-63. PubMed ID: 15183323
[TBL] [Abstract][Full Text] [Related]
19. Prediction and classification of drug toxicity using probabilistic modeling of temporal metabolic data: the consortium on metabonomic toxicology screening approach.
Ebbels TM; Keun HC; Beckonert OP; Bollard ME; Lindon JC; Holmes E; Nicholson JK
J Proteome Res; 2007 Nov; 6(11):4407-22. PubMed ID: 17915905
[TBL] [Abstract][Full Text] [Related]
20. Hit and Lead identification: efficient practices for drug discovery.
Goodnow RA; Gillespie P
Prog Med Chem; 2007; 45():1-61. PubMed ID: 17280901
[No Abstract] [Full Text] [Related]
[Next] [New Search]
