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.
6. 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]
7. 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]
8. Introduction of the conditional correlated Bernoulli model of similarity value distributions and its application to the prospective prediction of fingerprint search performance. Vogt M; Bajorath J J Chem Inf Model; 2011 Oct; 51(10):2496-506. PubMed ID: 21892818 [TBL] [Abstract][Full Text] [Related]
9. 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]
10. Representation of chemical information in OASIS centralized 3D database for existing chemicals. Nikolov N; Grancharov V; Stoyanova G; Pavlov T; Mekenyan O J Chem Inf Model; 2006; 46(6):2537-51. PubMed ID: 17125194 [TBL] [Abstract][Full Text] [Related]
11. 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]
12. Mathematical correction for fingerprint similarity measures to improve chemical retrieval. Swamidass SJ; Baldi P J Chem Inf Model; 2007; 47(3):952-64. PubMed ID: 17444629 [TBL] [Abstract][Full Text] [Related]
14. Subspace-based support vector machines for pattern classification. Kitamura T; Takeuchi S; Abe S; Fukui K Neural Netw; 2009; 22(5-6):558-67. PubMed ID: 19592215 [TBL] [Abstract][Full Text] [Related]
15. Efficient substructure searching of large chemical libraries: the ABCD chemical cartridge. Agrafiotis DK; Lobanov VS; Shemanarev M; Rassokhin DN; Izrailev S; Jaeger EP; Alex S; Farnum M J Chem Inf Model; 2011 Dec; 51(12):3113-30. PubMed ID: 22035187 [TBL] [Abstract][Full Text] [Related]
16. 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]
17. Suitability of GRIND-based principal properties for the description of molecular similarity and ligand-based virtual screening. Durán A; Zamora I; Pastor M J Chem Inf Model; 2009 Sep; 49(9):2129-38. PubMed ID: 19728739 [TBL] [Abstract][Full Text] [Related]
18. Development of a spectral clustering method for the analysis of molecular data sets. Brewer ML J Chem Inf Model; 2007; 47(5):1727-33. PubMed ID: 17636944 [TBL] [Abstract][Full Text] [Related]
19. SuperDrug: a conformational drug database. Goede A; Dunkel M; Mester N; Frommel C; Preissner R Bioinformatics; 2005 May; 21(9):1751-3. PubMed ID: 15691861 [TBL] [Abstract][Full Text] [Related]
20. Efficient 3D database screening for novel HIV-1 IN inhibitors. Barreca ML; Rao A; De Luca L; Zappalà M; Gurnari C; Monforte P; De Clercq E; Van Maele B; Debyser Z; Witvrouw M; Briggs JM; Chimirri A J Chem Inf Comput Sci; 2004; 44(4):1450-5. PubMed ID: 15272853 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]