126 related articles for article (PubMed ID: 9704300)
1. Comparison of algorithms for dissimilarity-based compound selection.
Snarey M; Terrett NK; Willett P; Wilton DJ
J Mol Graph Model; 1997 Dec; 15(6):372-85. PubMed ID: 9704300
[TBL] [Abstract][Full Text] [Related]
2. DISSIM: a program for the analysis of chemical diversity.
Flower DR
J Mol Graph Model; 1998; 16(4-6):239-53, 264. PubMed ID: 10522243
[TBL] [Abstract][Full Text] [Related]
3. Dissimilarity-based algorithms for selecting structurally diverse sets of compounds.
Willett P
J Comput Biol; 1999; 6(3-4):447-57. PubMed ID: 10582578
[TBL] [Abstract][Full Text] [Related]
4. Method for effective virtual screening and scaffold-hopping in chemical compounds.
Wale N; Karypis G; Watson IA
Comput Syst Bioinformatics Conf; 2007; 6():403-14. PubMed ID: 17951843
[TBL] [Abstract][Full Text] [Related]
5. Experimental studies of the Universal Chemical Key (UCK) algorithm on the NCI database of chemical compounds.
Grossman R; Kasturi P; Hamelberg D; Liu B
Proc IEEE Comput Soc Bioinform Conf; 2003; 2():244-50. PubMed ID: 16452799
[TBL] [Abstract][Full Text] [Related]
6. Classification of biologically active compounds by median partitioning.
Godden JW; Xue L; Bajorath J
J Chem Inf Comput Sci; 2002; 42(5):1263-9. PubMed ID: 12377018
[TBL] [Abstract][Full Text] [Related]
7. Multi-view spectral clustering and its chemical application.
Adefioye AA; Liu X; De Moor B
Int J Comput Biol Drug Des; 2013; 6(1-2):32-49. PubMed ID: 23428472
[TBL] [Abstract][Full Text] [Related]
8. In silico screening of drug databases for TSE inhibitors.
Lorenzen S; Dunkel M; Preissner R
Biosystems; 2005 May; 80(2):117-22. PubMed ID: 15823410
[TBL] [Abstract][Full Text] [Related]
9. Identification of biological activity profiles using substructural analysis and genetic algorithms.
Gillet VJ; Willett P; Bradshaw J
J Chem Inf Comput Sci; 1998; 38(2):165-79. PubMed ID: 9538517
[TBL] [Abstract][Full Text] [Related]
10. Random or rational design? Evaluation of diverse compound subsets from chemical structure databases.
Pötter T; Matter H
J Med Chem; 1998 Feb; 41(4):478-88. PubMed ID: 9484498
[TBL] [Abstract][Full Text] [Related]
11. Impact of different software implementations on the performance of the Maxmin method for diverse subset selection.
Schmuker M; Givehchi A; Schneider G
Mol Divers; 2004; 8(4):421-5. PubMed ID: 15612646
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. 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]
14. Chemical similarity searches using latent semantic structural indexing (LaSSI) and comparison to TOPOSIM.
Hull RD; Fluder EM; Singh SB; Nachbar RB; Kearsley SK; Sheridan RP
J Med Chem; 2001 Apr; 44(8):1185-91. PubMed ID: 11312918
[TBL] [Abstract][Full Text] [Related]
15. A scoring scheme for discriminating between drugs and nondrugs.
Sadowski J; Kubinyi H
J Med Chem; 1998 Aug; 41(18):3325-9. PubMed ID: 9719584
[TBL] [Abstract][Full Text] [Related]
16. Discriminating between drugs and nondrugs by prediction of activity spectra for substances (PASS).
Anzali S; Barnickel G; Cezanne B; Krug M; Filimonov D; Poroikov V
J Med Chem; 2001 Jul; 44(15):2432-7. PubMed ID: 11448225
[TBL] [Abstract][Full Text] [Related]
17. A large descriptor set and a probabilistic kernel-based classifier significantly improve druglikeness classification.
Li Q; Bender A; Pei J; Lai L
J Chem Inf Model; 2007; 47(5):1776-86. PubMed ID: 17718552
[TBL] [Abstract][Full Text] [Related]
18. Explicit Diversity Index (EDI): a novel measure for assessing the diversity of compound databases.
Papp A; Gulyas-Forró A; Gulyas Z; Dorman G; Urge L; Darvas F
J Chem Inf Model; 2006; 46(5):1898-904. PubMed ID: 16995719
[TBL] [Abstract][Full Text] [Related]
19. DISE: directed sphere exclusion.
Gobbi A; Lee ML
J Chem Inf Comput Sci; 2003; 43(1):317-23. PubMed ID: 12546567
[TBL] [Abstract][Full Text] [Related]
20. LASSOO: a generalized directed diversity approach to the design and enrichment of chemical libraries.
Koehler RT; Dixon SL; Villar HO
J Med Chem; 1999 Nov; 42(22):4695-704. PubMed ID: 10579831
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
