BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

150 related articles for article (PubMed ID: 25484913)

  • 1. Atom mapping with constraint programming.
    Mann M; Nahar F; Schnorr N; Backofen R; Stadler PF; Flamm C
    Algorithms Mol Biol; 2014; 9(1):23. PubMed ID: 25484913
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Accurate atom-mapping computation for biochemical reactions.
    Latendresse M; Malerich JP; Travers M; Karp PD
    J Chem Inf Model; 2012 Nov; 52(11):2970-82. PubMed ID: 22963657
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Using atom mapping rules for an improved detection of relevant routes in weighted metabolic networks.
    Blum T; Kohlbacher O
    J Comput Biol; 2008; 15(6):565-76. PubMed ID: 18631021
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Machine Learning Guided Atom Mapping of Metabolic Reactions.
    Litsa EE; Peña MI; Moll M; Giannakopoulos G; Bennett GN; Kavraki LE
    J Chem Inf Model; 2019 Mar; 59(3):1121-1135. PubMed ID: 30500191
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Automatic determination of reaction mappings and reaction center information. 1. The imaginary transition state energy approach.
    Körner R; Apostolakis J
    J Chem Inf Model; 2008 Jun; 48(6):1181-9. PubMed ID: 18533713
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Learning symmetry-aware atom mapping in chemical reactions through deep graph matching.
    Astero M; Rousu J
    J Cheminform; 2024 Apr; 16(1):46. PubMed ID: 38650016
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Trapping the Transition State in a [2,3]-Sigmatropic Rearrangement by Applying Pressure.
    Kumar S; Weiß R; Zeller F; Neudecker T
    ACS Omega; 2022 Dec; 7(49):45208-45214. PubMed ID: 36530272
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Automatic determination of reaction mappings and reaction center information. 2. Validation on a biochemical reaction database.
    Apostolakis J; Sacher O; Körner R; Gasteiger J
    J Chem Inf Model; 2008 Jun; 48(6):1190-8. PubMed ID: 18533714
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Models for identification of erroneous atom-to-atom mapping of reactions performed by automated algorithms.
    Muller C; Marcou G; Horvath D; Aires-de-Sousa J; Varnek A
    J Chem Inf Model; 2012 Dec; 52(12):3116-22. PubMed ID: 23167287
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Computing atom mappings for biochemical reactions without subgraph isomorphism.
    Heinonen M; Lappalainen S; Mielikäinen T; Rousu J
    J Comput Biol; 2011 Jan; 18(1):43-58. PubMed ID: 21210731
    [TBL] [Abstract][Full Text] [Related]  

  • 11. RMechDB: A Public Database of Elementary Radical Reaction Steps.
    Tavakoli M; Chiu YTT; Baldi P; Carlton AM; Van Vranken D
    J Chem Inf Model; 2023 Feb; 63(4):1114-1123. PubMed ID: 36799778
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Extraction of organic chemistry grammar from unsupervised learning of chemical reactions.
    Schwaller P; Hoover B; Reymond JL; Strobelt H; Laino T
    Sci Adv; 2021 Apr; 7(15):. PubMed ID: 33827815
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Comparative evaluation of atom mapping algorithms for balanced metabolic reactions: application to Recon 3D.
    Preciat Gonzalez GA; El Assal LRP; Noronha A; Thiele I; Haraldsdóttir HS; Fleming RMT
    J Cheminform; 2017 Jun; 9(1):39. PubMed ID: 29086112
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Automated Transition State Search and Its Application to Diverse Types of Organic Reactions.
    Jacobson LD; Bochevarov AD; Watson MA; Hughes TF; Rinaldo D; Ehrlich S; Steinbrecher TB; Vaitheeswaran S; Philipp DM; Halls MD; Friesner RA
    J Chem Theory Comput; 2017 Nov; 13(11):5780-5797. PubMed ID: 28957627
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Reconstruction of biological pathways and metabolic networks from in silico labeled metabolites.
    Hadadi N; Hafner J; Soh KC; Hatzimanikatis V
    Biotechnol J; 2017 Jan; 12(1):. PubMed ID: 27897385
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Constraint Logic Programming approach to protein structure prediction.
    Dal Palù A; Dovier A; Fogolari F
    BMC Bioinformatics; 2004 Nov; 5():186. PubMed ID: 15571634
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Automated Discovery of Elementary Chemical Reaction Steps Using Freezing String and Berny Optimization Methods.
    Suleimanov YV; Green WH
    J Chem Theory Comput; 2015 Sep; 11(9):4248-59. PubMed ID: 26575920
    [TBL] [Abstract][Full Text] [Related]  

  • 18. ReactionMap: an efficient atom-mapping algorithm for chemical reactions.
    Fooshee D; Andronico A; Baldi P
    J Chem Inf Model; 2013 Nov; 53(11):2812-9. PubMed ID: 24160861
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Single Atom Dynamics in Chemical Reactions.
    Boyes ED; LaGrow AP; Ward MR; Mitchell RW; Gai PL
    Acc Chem Res; 2020 Feb; 53(2):390-399. PubMed ID: 32022555
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Atom-to-atom Mapping: A Benchmarking Study of Popular Mapping Algorithms and Consensus Strategies.
    Lin A; Dyubankova N; Madzhidov TI; Nugmanov RI; Verhoeven J; Gimadiev TR; Afonina VA; Ibragimova Z; Rakhimbekova A; Sidorov P; Gedich A; Suleymanov R; Mukhametgaleev R; Wegner J; Ceulemans H; Varnek A
    Mol Inform; 2022 Apr; 41(4):e2100138. PubMed ID: 34726834
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.