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.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

98 related articles for article (PubMed ID: 27031173)

  • 1. Multistep Reaction Based De Novo Drug Design: Generating Synthetically Feasible Design Ideas.
    Masek BB; Baker DS; Dorfman RJ; DuBrucq K; Francis VC; Nagy S; Richey BL; Soltanshahi F
    J Chem Inf Model; 2016 Apr; 56(4):605-20. PubMed ID: 27031173
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Enhancing reaction-based de novo design using a multi-label reaction class recommender.
    Ghiandoni GM; Bodkin MJ; Chen B; Hristozov D; Wallace JEA; Webster J; Gillet VJ
    J Comput Aided Mol Des; 2020 Jul; 34(7):783-803. PubMed ID: 32112286
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Reaction-driven de novo design, synthesis and testing of potential type II kinase inhibitors.
    Schneider G; Geppert T; Hartenfeller M; Reisen F; Klenner A; Reutlinger M; Hähnke V; Hiss JA; Zettl H; Keppner S; Spänkuch B; Schneider P
    Future Med Chem; 2011 Mar; 3(4):415-24. PubMed ID: 21452978
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Advances in multiparameter optimization methods for de novo drug design.
    Segall M
    Expert Opin Drug Discov; 2014 Jul; 9(7):803-17. PubMed ID: 24793080
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Is chemical synthetic accessibility computationally predictable for drug and lead-like molecules? A comparative assessment between medicinal and computational chemists.
    Bonnet P
    Eur J Med Chem; 2012 Aug; 54():679-89. PubMed ID: 22749644
    [TBL] [Abstract][Full Text] [Related]  

  • 6. De novo design of molecular architectures by evolutionary assembly of drug-derived building blocks.
    Schneider G; Lee ML; Stahl M; Schneider P
    J Comput Aided Mol Des; 2000 Jul; 14(5):487-94. PubMed ID: 10896320
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Synergy between combinatorial chemistry and de novo design.
    Leach AR; Bryce RA; Robinson AJ
    J Mol Graph Model; 2000; 18(4-5):358-67, 526. PubMed ID: 11143555
    [TBL] [Abstract][Full Text] [Related]  

  • 8. NAOMInext - Synthetically feasible fragment growing in a structure-based design context.
    Sommer K; Flachsenberg F; Rarey M
    Eur J Med Chem; 2019 Feb; 163():747-762. PubMed ID: 30576905
    [TBL] [Abstract][Full Text] [Related]  

  • 9. NovoFLAP: A ligand-based de novo design approach for the generation of medicinally relevant ideas.
    Damewood JR; Lerman CL; Masek BB
    J Chem Inf Model; 2010 Jul; 50(7):1296-303. PubMed ID: 20586434
    [TBL] [Abstract][Full Text] [Related]  

  • 10. De novo design of drug-like molecules by a fragment-based molecular evolutionary approach.
    Kawai K; Nagata N; Takahashi Y
    J Chem Inf Model; 2014 Jan; 54(1):49-56. PubMed ID: 24372539
    [TBL] [Abstract][Full Text] [Related]  

  • 11. De novo design - hop(p)ing against hope.
    Schneider G
    Drug Discov Today Technol; 2013 Dec; 10(4):e453-60. PubMed ID: 24451634
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Scaffold-hopping potential of fragment-based de novo design: the chances and limits of variation.
    Krueger BA; Dietrich A; Baringhaus KH; Schneider G
    Comb Chem High Throughput Screen; 2009 May; 12(4):383-96. PubMed ID: 19442066
    [TBL] [Abstract][Full Text] [Related]  

  • 13. De novo drug design using multiobjective evolutionary graphs.
    Nicolaou CA; Apostolakis J; Pattichis CS
    J Chem Inf Model; 2009 Feb; 49(2):295-307. PubMed ID: 19434831
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Ring system-based chemical graph generation for de novo molecular design.
    Miyao T; Kaneko H; Funatsu K
    J Comput Aided Mol Des; 2016 May; 30(5):425-46. PubMed ID: 27299746
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Prospective exploration of synthetically feasible, medicinally relevant chemical space.
    Schürer SC; Tyagi P; Muskal SM
    J Chem Inf Model; 2005; 45(2):239-48. PubMed ID: 15807484
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Macromolecular target prediction by self-organizing feature maps.
    Schneider G; Schneider P
    Expert Opin Drug Discov; 2017 Mar; 12(3):271-277. PubMed ID: 27997811
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A collection of robust organic synthesis reactions for in silico molecule design.
    Hartenfeller M; Eberle M; Meier P; Nieto-Oberhuber C; Altmann KH; Schneider G; Jacoby E; Renner S
    J Chem Inf Model; 2011 Dec; 51(12):3093-8. PubMed ID: 22077721
    [TBL] [Abstract][Full Text] [Related]  

  • 18. [In Silico Drug Design Using an Evolutionary Algorithm and Compound Database].
    Kawai K; Takahashi Y
    Yakugaku Zasshi; 2016; 136(1):107-12. PubMed ID: 26725677
    [TBL] [Abstract][Full Text] [Related]  

  • 19. The quest for novel chemical matter and the contribution of computer-aided de novo design.
    Pirard B
    Expert Opin Drug Discov; 2011 Mar; 6(3):225-31. PubMed ID: 22647201
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Machine Learning in Computer-Aided Synthesis Planning.
    Coley CW; Green WH; Jensen KF
    Acc Chem Res; 2018 May; 51(5):1281-1289. PubMed ID: 29715002
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 5.