BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

155 related articles for article (PubMed ID: 34884555)

  • 1. Ligand-Based Virtual Screening Based on the Graph Edit Distance.
    Rica E; Álvarez S; Serratosa F
    Int J Mol Sci; 2021 Nov; 22(23):. PubMed ID: 34884555
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Learning the Edit Costs of Graph Edit Distance Applied to Ligand-Based Virtual Screening.
    Garcia-Hernandez C; Fernández A; Serratosa F
    Curr Top Med Chem; 2020; 20(18):1582-1592. PubMed ID: 32493194
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Ligand-Based Virtual Screening Using Graph Edit Distance as Molecular Similarity Measure.
    Garcia-Hernandez C; Fernández A; Serratosa F
    J Chem Inf Model; 2019 Apr; 59(4):1410-1421. PubMed ID: 30920214
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Training similarity measures for specific activities: application to reduced graphs.
    Birchall K; Gillet VJ; Harper G; Pickett SD
    J Chem Inf Model; 2006; 46(2):577-86. PubMed ID: 16562986
    [TBL] [Abstract][Full Text] [Related]  

  • 5. A binary linear programming formulation of the graph edit distance.
    Justice D; Hero A
    IEEE Trans Pattern Anal Mach Intell; 2006 Aug; 28(8):1200-14. PubMed ID: 16886857
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Self-organizing maps for learning the edit costs in graph matching.
    Neuhaus M; Bunke H
    IEEE Trans Syst Man Cybern B Cybern; 2005 Jun; 35(3):503-14. PubMed ID: 15971918
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Graph edit distance from spectral seriation.
    Robles-Kelly A; Hancock ER
    IEEE Trans Pattern Anal Mach Intell; 2005 Mar; 27(3):365-378. PubMed ID: 15747792
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Approximate Graph Edit Distance in Quadratic Time.
    Riesen K; Ferrer M; Bunke H
    IEEE/ACM Trans Comput Biol Bioinform; 2020; 17(2):483-494. PubMed ID: 26390496
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Graph wavelet alignment kernels for drug virtual screening.
    Smalter A; Huan J; Lushington G
    J Bioinform Comput Biol; 2009 Jun; 7(3):473-97. PubMed ID: 19507286
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Key-Node-Separated Graph Clustering and Layouts for Human Relationship Graph Visualization.
    Itoh T; Klein K
    IEEE Comput Graph Appl; 2015; 35(6):30-40. PubMed ID: 26415161
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Employing Molecular Conformations for Ligand-Based Virtual Screening with Equivariant Graph Neural Network and Deep Multiple Instance Learning.
    Gu Y; Li J; Kang H; Zhang B; Zheng S
    Molecules; 2023 Aug; 28(16):. PubMed ID: 37630234
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Visualization of Topological Pharmacophore Space with Graph Edit Distance.
    Nakano H; Miyao T
    ACS Omega; 2022 Apr; 7(16):14057-14068. PubMed ID: 35559135
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Scaffold hopping using clique detection applied to reduced graphs.
    Barker EJ; Buttar D; Cosgrove DA; Gardiner EJ; Kitts P; Willett P; Gillet VJ
    J Chem Inf Model; 2006; 46(2):503-11. PubMed ID: 16562978
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Predicting Drug-Target Interaction Using a Novel Graph Neural Network with 3D Structure-Embedded Graph Representation.
    Lim J; Ryu S; Park K; Choe YJ; Ham J; Kim WY
    J Chem Inf Model; 2019 Sep; 59(9):3981-3988. PubMed ID: 31443612
    [TBL] [Abstract][Full Text] [Related]  

  • 16. PyGTED: Python Application for Computing Graph Traversal Edit Distance.
    Ebrahimpour Boroojeny A; Shrestha A; Sharifi-Zarchi A; Gallagher SR; Sahinalp SC; Chitsaz H
    J Comput Biol; 2020 Mar; 27(3):436-439. PubMed ID: 32160033
    [No Abstract]   [Full Text] [Related]  

  • 17. Molecular graph convolutions: moving beyond fingerprints.
    Kearnes S; McCloskey K; Berndl M; Pande V; Riley P
    J Comput Aided Mol Des; 2016 Aug; 30(8):595-608. PubMed ID: 27558503
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Learning temporal attention in dynamic graphs with bilinear interactions.
    Knyazev B; Augusta C; Taylor GW
    PLoS One; 2021; 16(3):e0247936. PubMed ID: 33661968
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Chemical graphs, molecular matrices and topological indices in chemoinformatics and quantitative structure-activity relationships.
    Ivanciuc O
    Curr Comput Aided Drug Des; 2013 Jun; 9(2):153-63. PubMed ID: 23701000
    [TBL] [Abstract][Full Text] [Related]  

  • 20. An unbiased method to build benchmarking sets for ligand-based virtual screening and its application to GPCRs.
    Xia J; Jin H; Liu Z; Zhang L; Wang XS
    J Chem Inf Model; 2014 May; 54(5):1433-50. PubMed ID: 24749745
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.