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.
378 related articles for article (PubMed ID: 18651695)
1. Integrating structure- and ligand-based virtual screening: comparison of individual, parallel, and fused molecular docking and similarity search calculations on multiple targets. Tan L; Geppert H; Sisay MT; Gütschow M; Bajorath J ChemMedChem; 2008 Oct; 3(10):1566-71. PubMed ID: 18651695 [TBL] [Abstract][Full Text] [Related]
2. Comparison of structure- and ligand-based virtual screening protocols considering hit list complementarity and enrichment factors. Krüger DM; Evers A ChemMedChem; 2010 Jan; 5(1):148-58. PubMed ID: 19908272 [TBL] [Abstract][Full Text] [Related]
3. Design and evaluation of a novel class-directed 2D fingerprint to search for structurally diverse active compounds. Eckert H; Bajorath J J Chem Inf Model; 2006; 46(6):2515-26. PubMed ID: 17125192 [TBL] [Abstract][Full Text] [Related]
4. 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]
5. 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]
6. Random reduction in fingerprint bit density improves compound recall in search calculations using complex reference molecules. Wang Y; Geppert H; Bajorath J Chem Biol Drug Des; 2008 Jun; 71(6):511-7. PubMed ID: 18466274 [TBL] [Abstract][Full Text] [Related]
7. Bit silencing in fingerprints enables the derivation of compound class-directed similarity metrics. Wang Y; Bajorath J J Chem Inf Model; 2008 Sep; 48(9):1754-9. PubMed ID: 18698839 [TBL] [Abstract][Full Text] [Related]
12. 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]
13. Utilizing target-ligand interaction information in fingerprint searching for ligands of related targets. Tan L; Bajorath J Chem Biol Drug Des; 2009 Jul; 74(1):25-32. PubMed ID: 19519741 [TBL] [Abstract][Full Text] [Related]
14. Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches. Eckert H; Bajorath J Drug Discov Today; 2007 Mar; 12(5-6):225-33. PubMed ID: 17331887 [TBL] [Abstract][Full Text] [Related]
15. Virtual screening and bioassay study of novel inhibitors for dengue virus mRNA cap (nucleoside-2'O)-methyltransferase. Luzhkov VB; Selisko B; Nordqvist A; Peyrane F; Decroly E; Alvarez K; Karlen A; Canard B; Qvist J Bioorg Med Chem; 2007 Dec; 15(24):7795-802. PubMed ID: 17888664 [TBL] [Abstract][Full Text] [Related]
16. How do 2D fingerprints detect structurally diverse active compounds? Revealing compound subset-specific fingerprint features through systematic selection. Heikamp K; Bajorath J J Chem Inf Model; 2011 Sep; 51(9):2254-65. PubMed ID: 21793563 [TBL] [Abstract][Full Text] [Related]
17. Analysis of a high-throughput screening data set using potency-scaled molecular similarity algorithms. Vogt I; Bajorath J J Chem Inf Model; 2007; 47(2):367-75. PubMed ID: 17300172 [TBL] [Abstract][Full Text] [Related]
20. A comprehensive docking study on the selectivity of binding of aromatic compounds to proteins. Hetényi C; Maran U; Karelson M J Chem Inf Comput Sci; 2003; 43(5):1576-83. PubMed ID: 14502492 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]