BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

163 related articles for article (PubMed ID: 26721261)

  • 1. Autocorrelation descriptor improvements for QSAR: 2DA_Sign and 3DA_Sign.
    Sliwoski G; Mendenhall J; Meiler J
    J Comput Aided Mol Des; 2016 Mar; 30(3):209-17. PubMed ID: 26721261
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Improving quantitative structure-activity relationship models using Artificial Neural Networks trained with dropout.
    Mendenhall J; Meiler J
    J Comput Aided Mol Des; 2016 Feb; 30(2):177-89. PubMed ID: 26830599
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Hyperbolic relational graph convolution networks plus: a simple but highly efficient QSAR-modeling method.
    Wu Z; Jiang D; Hsieh CY; Chen G; Liao B; Cao D; Hou T
    Brief Bioinform; 2021 Sep; 22(5):. PubMed ID: 33866354
    [TBL] [Abstract][Full Text] [Related]  

  • 4. BCL::Mol2D-a robust atom environment descriptor for QSAR modeling and lead optimization.
    Vu O; Mendenhall J; Altarawy D; Meiler J
    J Comput Aided Mol Des; 2019 May; 33(5):477-486. PubMed ID: 30955193
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Influence of Structural Isomerism on the Photophysical Properties of a Series of Donor-Acceptor 1-Naphthalenecarbonitrile Derivatives Possessing Amine Substituents.
    Phillips AT; Yu Z; Stewart DJ; Cooper TM; Haley JE; Tan LS; Grusenmeyer TA
    J Phys Chem A; 2020 Mar; 124(11):2113-2122. PubMed ID: 32068405
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Linear indices of the "molecular pseudograph's atom adjacency matrix": definition, significance-interpretation, and application to QSAR analysis of flavone derivatives as HIV-1 integrase inhibitors.
    Marrero-Ponce Y
    J Chem Inf Comput Sci; 2004; 44(6):2010-26. PubMed ID: 15554670
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Quantitative structure-activity relationship: promising advances in drug discovery platforms.
    Wang T; Wu MB; Lin JP; Yang LR
    Expert Opin Drug Discov; 2015 Dec; 10(12):1283-300. PubMed ID: 26358617
    [TBL] [Abstract][Full Text] [Related]  

  • 8. BCL::EMAS--enantioselective molecular asymmetry descriptor for 3D-QSAR.
    Sliwoski G; Lowe EW; Butkiewicz M; Meiler J
    Molecules; 2012 Aug; 17(8):9971-89. PubMed ID: 22907158
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Editorial: Current status and perspective on drug targets in tubercle bacilli and drug design of antituberculous agents based on structure-activity relationship.
    Tomioka H
    Curr Pharm Des; 2014; 20(27):4305-6. PubMed ID: 24245755
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Systematic generation of chemical structures for rational drug design based on QSAR models.
    Funatsu K; Miyao T; Arakawa M
    Curr Comput Aided Drug Des; 2011 Mar; 7(1):1-9. PubMed ID: 20550510
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Multi-target QSAR and docking study of steroids binding to corticosteroid-binding globulin and sex hormone-binding globulin.
    Nikolic K; Filipic S; Agbaba D
    Curr Comput Aided Drug Des; 2012 Dec; 8(4):296-308. PubMed ID: 22242800
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Editorial: The Expanding Landscape of Graph Theoretic Molecular Descriptors: Development, Gradual Diversification of Descriptor Space, and Applications in QSAR/ QMSA and New Drug Discovery.
    Basak SC
    Curr Comput Aided Drug Des; 2017; 13(3):172-176. PubMed ID: 29517467
    [No Abstract]   [Full Text] [Related]  

  • 13. Identification of the descriptor pharmacophores using variable selection QSAR: applications to database mining.
    Tropsha A; Zheng W
    Curr Pharm Des; 2001 May; 7(7):599-612. PubMed ID: 11375770
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 4D- quantitative structure-activity relationship modeling: making a comeback.
    Fourches D; Ash J
    Expert Opin Drug Discov; 2019 Dec; 14(12):1227-1235. PubMed ID: 31513441
    [No Abstract]   [Full Text] [Related]  

  • 15. Development of a chirality-sensitive flexibility descriptor for 3+3D-QSAR.
    Dervarics M; Otvös F; Martinek TA
    J Chem Inf Model; 2006; 46(3):1431-8. PubMed ID: 16711763
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 3D-MoRSE descriptors explained.
    Devinyak O; Havrylyuk D; Lesyk R
    J Mol Graph Model; 2014 Nov; 54():194-203. PubMed ID: 25459771
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Profile-QSAR: a novel meta-QSAR method that combines activities across the kinase family to accurately predict affinity, selectivity, and cellular activity.
    Martin E; Mukherjee P; Sullivan D; Jansen J
    J Chem Inf Model; 2011 Aug; 51(8):1942-56. PubMed ID: 21667971
    [TBL] [Abstract][Full Text] [Related]  

  • 18. On the contribution of molecular topology to drug design and discovery.
    Gálvez J; García-Doménech R
    Curr Comput Aided Drug Des; 2010 Dec; 6(4):252-68. PubMed ID: 20883200
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Quantum Artificial Neural Network Approach to Derive a Highly Predictive 3D-QSAR Model for Blood-Brain Barrier Passage.
    Kim T; You BH; Han S; Shin HC; Chung KC; Park H
    Int J Mol Sci; 2021 Oct; 22(20):. PubMed ID: 34681653
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Three-dimensional molecular descriptors and a novel QSAR method.
    Wildman SA; Crippen GM
    J Mol Graph Model; 2002 Dec; 21(3):161-70. PubMed ID: 12463634
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.