185 related articles for article (PubMed ID: 18416545)
1. Application of belief theory to similarity data fusion for use in analog searching and lead hopping.
Muchmore SW; Debe DA; Metz JT; Brown SP; Martin YC; Hajduk PJ
J Chem Inf Model; 2008 May; 48(5):941-8. PubMed ID: 18416545
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. 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]
4. Introduction of an information-theoretic method to predict recovery rates of active compounds for Bayesian in silico screening: theory and screening trials.
Vogt M; Bajorath J
J Chem Inf Model; 2007; 47(2):337-41. PubMed ID: 17302401
[TBL] [Abstract][Full Text] [Related]
5. Introduction of a generally applicable method to estimate retrieval of active molecules for similarity searching using fingerprints.
Vogt M; Bajorath J
ChemMedChem; 2007 Sep; 2(9):1311-20. PubMed ID: 17562536
[TBL] [Abstract][Full Text] [Related]
6. Bayesian screening for active compounds in high-dimensional chemical spaces combining property descriptors and molecular fingerprints.
Vogt M; Bajorath J
Chem Biol Drug Des; 2008 Jan; 71(1):8-14. PubMed ID: 18069988
[TBL] [Abstract][Full Text] [Related]
7. 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]
8. Training similarity measures for specific activities: application to reduced graphs.
Birchall K; Gillet VJ; Harper G; Pickett SD
J Chem Inf Model; 2006; 46(2):577-86. PubMed ID: 16562986
[TBL] [Abstract][Full Text] [Related]
9. Similarity-based virtual screening with a bayesian inference network.
Abdo A; Salim N
ChemMedChem; 2009 Feb; 4(2):210-8. PubMed ID: 19072820
[TBL] [Abstract][Full Text] [Related]
10. "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]
11. Scaffold hopping using clique detection applied to reduced graphs.
Barker EJ; Buttar D; Cosgrove DA; Gardiner EJ; Kitts P; Willett P; Gillet VJ
J Chem Inf Model; 2006; 46(2):503-11. PubMed ID: 16562978
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. Multifingerprint based similarity searches for targeted class compound selection.
Kogej T; Engkvist O; Blomberg N; Muresan S
J Chem Inf Model; 2006; 46(3):1201-13. PubMed ID: 16711740
[TBL] [Abstract][Full Text] [Related]
14. Optimization of the MAD algorithm for virtual screening.
Eckert H; Bajorath J
Methods Mol Biol; 2008; 453():349-62. PubMed ID: 18712313
[TBL] [Abstract][Full Text] [Related]
15. Neighborhood behavior: a useful concept for validation of "molecular diversity" descriptors.
Patterson DE; Cramer RD; Ferguson AM; Clark RD; Weinberger LE
J Med Chem; 1996 Aug; 39(16):3049-59. PubMed ID: 8759626
[TBL] [Abstract][Full Text] [Related]
16. Emerging chemical patterns: a new methodology for molecular classification and compound selection.
Auer J; Bajorath J
J Chem Inf Model; 2006; 46(6):2502-14. PubMed ID: 17125191
[TBL] [Abstract][Full Text] [Related]
17. A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction.
Rush TS; Grant JA; Mosyak L; Nicholls A
J Med Chem; 2005 Mar; 48(5):1489-95. PubMed ID: 15743191
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. 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]
20. 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]
[Next] [New Search]
