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.
186 related articles for article (PubMed ID: 30467740)
21. jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints. Hinselmann G; Rosenbaum L; Jahn A; Fechner N; Zell A J Cheminform; 2011 Jan; 3(1):3. PubMed ID: 21219648 [TBL] [Abstract][Full Text] [Related]
22. Development of a compound class-directed similarity coefficient that accounts for molecular complexity effects in fingerprint searching. Wang Y; Bajorath J J Chem Inf Model; 2009 Jun; 49(6):1369-76. PubMed ID: 19480406 [TBL] [Abstract][Full Text] [Related]
23. Molecular fingerprint recombination: generating hybrid fingerprints for similarity searching from different fingerprint types. Nisius B; Bajorath J ChemMedChem; 2009 Nov; 4(11):1859-63. PubMed ID: 19714705 [TBL] [Abstract][Full Text] [Related]
24. A Fragment Library of Natural Products and its Comparative Chemoinformatic Characterization. Chávez-Hernández AL; Sánchez-Cruz N; Medina-Franco JL Mol Inform; 2020 Nov; 39(11):e2000050. PubMed ID: 32302465 [TBL] [Abstract][Full Text] [Related]
25. 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]
26. Diversity and Chemical Library Networks of Large Data Sets. Dunn TB; Seabra GM; Kim TD; Juárez-Mercado KE; Li C; Medina-Franco JL; Miranda-Quintana RA J Chem Inf Model; 2022 May; 62(9):2186-2201. PubMed ID: 34723537 [TBL] [Abstract][Full Text] [Related]
27. Modeling Tanimoto Similarity Value Distributions and Predicting Search Results. Vogt M; Bajorath J Mol Inform; 2017 Jul; 36(7):. PubMed ID: 28032955 [TBL] [Abstract][Full Text] [Related]
29. Quantifying the fingerprint descriptor dependence of structure-activity relationship information on a large scale. Dimova D; Stumpfe D; Bajorath J J Chem Inf Model; 2013 Sep; 53(9):2275-81. PubMed ID: 23968259 [TBL] [Abstract][Full Text] [Related]
30. 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]
31. Activity-relevant similarity values for fingerprints and implications for similarity searching. Jasial S; Hu Y; Vogt M; Bajorath J F1000Res; 2016; 5():. PubMed ID: 27127620 [TBL] [Abstract][Full Text] [Related]
32. Comparing structural fingerprints using a literature-based similarity benchmark. O'Boyle NM; Sayle RA J Cheminform; 2016; 8():36. PubMed ID: 27382417 [TBL] [Abstract][Full Text] [Related]
33. Maximum common substructure-based data fusion in similarity searching. Duesbury E; Holliday J; Willett P J Chem Inf Model; 2015 Feb; 55(2):222-30. PubMed ID: 25602464 [TBL] [Abstract][Full Text] [Related]
34. Filtering and counting of extended connectivity fingerprint features maximizes compound recall and the structural diversity of hits. Hu Y; Lounkine E; Bajorath J Chem Biol Drug Des; 2009 Jul; 74(1):92-8. PubMed ID: 19519749 [TBL] [Abstract][Full Text] [Related]
35. One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome. Capecchi A; Probst D; Reymond JL J Cheminform; 2020 Jun; 12(1):43. PubMed ID: 33431010 [TBL] [Abstract][Full Text] [Related]
36. Balancing the influence of molecular complexity on fingerprint similarity searching. Wang Y; Bajorath J J Chem Inf Model; 2008 Jan; 48(1):75-84. PubMed ID: 18081268 [TBL] [Abstract][Full Text] [Related]
37. Target enhanced 2D similarity search by using explicit biological activity annotations and profiles. Yu X; Geer LY; Han L; Bryant SH J Cheminform; 2015; 7():55. PubMed ID: 26583046 [TBL] [Abstract][Full Text] [Related]
38. Rendering conventional molecular fingerprints for virtual screening independent of molecular complexity and size effects. Nisius B; Bajorath J ChemMedChem; 2010 Jun; 5(6):859-68. PubMed ID: 20425878 [TBL] [Abstract][Full Text] [Related]
39. Quickly quantifying the dissolution fingerprints of compound Danshen dropping pill by HPLC. Sun G; Song Y; Li L; Hou Z; Tong L Ann Transl Med; 2013 Jul; 1(2):16. PubMed ID: 25332960 [TBL] [Abstract][Full Text] [Related]
40. RelACCS-FP: a structural minimalist approach to fingerprint design. Hu Y; Lounkine E; Batista J; Bajorath J Chem Biol Drug Des; 2008 Nov; 72(5):341-9. PubMed ID: 19012570 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]