BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

185 related articles for article (PubMed ID: 12688414)

  • 41. 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]  

  • 42. Similarity search profiling reveals effects of fingerprint scaling in virtual screening.
    Xue L; Stahura FL; Bajorath J
    J Chem Inf Comput Sci; 2004; 44(6):2032-9. PubMed ID: 15554672
    [TBL] [Abstract][Full Text] [Related]  

  • 43. Inverse frequency weighting of fragments for similarity-based virtual screening.
    Arif SM; Holliday JD; Willett P
    J Chem Inf Model; 2010 Aug; 50(8):1340-9. PubMed ID: 20672867
    [TBL] [Abstract][Full Text] [Related]  

  • 44. How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space.
    Koutsoukas A; Paricharak S; Galloway WR; Spring DR; Ijzerman AP; Glen RC; Marcus D; Bender A
    J Chem Inf Model; 2014 Jan; 54(1):230-42. PubMed ID: 24289493
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Exploring peptide-likeness of active molecules using 2D fingerprint methods.
    Eckert H; Bajorath J
    J Chem Inf Model; 2007; 47(4):1366-78. PubMed ID: 17539624
    [TBL] [Abstract][Full Text] [Related]  

  • 46. 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]  

  • 47. Large-scale systematic analysis of 2D fingerprint methods and parameters to improve virtual screening enrichments.
    Sastry M; Lowrie JF; Dixon SL; Sherman W
    J Chem Inf Model; 2010 May; 50(5):771-84. PubMed ID: 20450209
    [TBL] [Abstract][Full Text] [Related]  

  • 48. Mold(2), molecular descriptors from 2D structures for chemoinformatics and toxicoinformatics.
    Hong H; Xie Q; Ge W; Qian F; Fang H; Shi L; Su Z; Perkins R; Tong W
    J Chem Inf Model; 2008 Jul; 48(7):1337-44. PubMed ID: 18564836
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Similarity metrics for ligands reflecting the similarity of the target proteins.
    Schuffenhauer A; Floersheim P; Acklin P; Jacoby E
    J Chem Inf Comput Sci; 2003; 43(2):391-405. PubMed ID: 12653501
    [TBL] [Abstract][Full Text] [Related]  

  • 50. The reduced graph descriptor in virtual screening and data-driven clustering of high-throughput screening data.
    Harper G; Bravi GS; Pickett SD; Hussain J; Green DV
    J Chem Inf Comput Sci; 2004; 44(6):2145-56. PubMed ID: 15554685
    [TBL] [Abstract][Full Text] [Related]  

  • 51. Support-vector-machine-based ranking significantly improves the effectiveness of similarity searching using 2D fingerprints and multiple reference compounds.
    Geppert H; Horváth T; Gärtner T; Wrobel S; Bajorath J
    J Chem Inf Model; 2008 Apr; 48(4):742-6. PubMed ID: 18318473
    [TBL] [Abstract][Full Text] [Related]  

  • 52. 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]  

  • 53. Similarity searching using 2D structural fingerprints.
    Willett P
    Methods Mol Biol; 2011; 672():133-58. PubMed ID: 20838967
    [TBL] [Abstract][Full Text] [Related]  

  • 54. Toward novel universal descriptors: charge fingerprints.
    Burden FR; Polley MJ; Winkler DA
    J Chem Inf Model; 2009 Mar; 49(3):710-5. PubMed ID: 19434903
    [TBL] [Abstract][Full Text] [Related]  

  • 55. 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]  

  • 56. Virtual drug screen schema based on multiview similarity integration and ranking aggregation.
    Kang H; Sheng Z; Zhu R; Huang Q; Liu Q; Cao Z
    J Chem Inf Model; 2012 Mar; 52(3):834-43. PubMed ID: 22332590
    [TBL] [Abstract][Full Text] [Related]  

  • 57. Using ensembles to classify compounds for drug discovery.
    Lanctot JK; Putta S; Lemmen C; Greene J
    J Chem Inf Comput Sci; 2003; 43(6):2163-9. PubMed ID: 14632468
    [TBL] [Abstract][Full Text] [Related]  

  • 58. Ultrafast shape recognition: evaluating a new ligand-based virtual screening technology.
    Ballester PJ; Finn PW; Richards WG
    J Mol Graph Model; 2009 Apr; 27(7):836-45. PubMed ID: 19188082
    [TBL] [Abstract][Full Text] [Related]  

  • 59. An overview of molecular fingerprint similarity search in virtual screening.
    Muegge I; Mukherjee P
    Expert Opin Drug Discov; 2016; 11(2):137-48. PubMed ID: 26558489
    [TBL] [Abstract][Full Text] [Related]  

  • 60. Advances in 2D fingerprint similarity searching.
    Geppert H; Bajorath J
    Expert Opin Drug Discov; 2010 Jun; 5(6):529-42. PubMed ID: 22823165
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 10.