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Journal Abstract Search

701 related items for PubMed ID: 23701000

  • 21. Electrotopological state atom (E-state) index in drug design, QSAR, property prediction and toxicity assessment.
    Roy K, Mitra I.
    Curr Comput Aided Drug Des; 2012 Jun; 8(2):135-58. PubMed ID: 22497469
    [Abstract] [Full Text] [Related]

  • 22. Structure-property modeling of coumarins and coumarin-related compounds in pharmacotherapy of cancer by employing graphical topological indices.
    Timmanaikar ST, Hayat S, Hosamani SM, Banu S.
    Eur Phys J E Soft Matter; 2024 May 12; 47(5):31. PubMed ID: 38735010
    [Abstract] [Full Text] [Related]

  • 23. Derivatives in discrete mathematics: a novel graph-theoretical invariant for generating new 2/3D molecular descriptors. I. Theory and QSPR application.
    Marrero-Ponce Y, Santiago OM, López YM, Barigye SJ, Torrens F.
    J Comput Aided Mol Des; 2012 Nov 12; 26(11):1229-46. PubMed ID: 23124489
    [Abstract] [Full Text] [Related]

  • 24. Matrix trace operators: from spectral moments of molecular graphs and complex networks to perturbations in synthetic reactions, micelle nanoparticles, and drug ADME processes.
    Gonzalez-Diaz H, Arrasate S, Juan AG, Sotomayor N, Lete E, Speck-Planche A, Ruso JM, Luan F, Cordeiro MN.
    Curr Drug Metab; 2014 Nov 12; 15(4):470-88. PubMed ID: 25204825
    [Abstract] [Full Text] [Related]

  • 25. Physicochemical Significance of Topological Indices: Importance in Drug Discovery Research.
    Bhatia KS, Gupta AK, Saxena AK.
    Curr Top Med Chem; 2023 Nov 12; 23(29):2735-2742. PubMed ID: 37519204
    [Abstract] [Full Text] [Related]

  • 26. Exploring the QSAR's predictive truthfulness of the novel N-tuple discrete derivative indices on benchmark datasets.
    Martínez-Santiago O, Marrero-Ponce Y, Vivas-Reyes R, Rivera-Borroto OM, Hurtado E, Treto-Suarez MA, Ramos Y, Vergara-Murillo F, Orozco-Ugarriza ME, Martínez-López Y.
    SAR QSAR Environ Res; 2017 May 12; 28(5):367-389. PubMed ID: 28590848
    [Abstract] [Full Text] [Related]

  • 27. On Certain Degree Based and Bond-additive Topological Indices of Dodeca-benzo-circumcorenene.
    Gunasekar T, Kathavarayan P, Alsinai A, Murugan G.
    Comb Chem High Throughput Screen; 2024 May 12; 27(11):1629-1641. PubMed ID: 38213147
    [Abstract] [Full Text] [Related]

  • 28. Superaugmented eccentric distance sum connectivity indices: novel highly discriminating topological descriptors for QSAR/QSPR.
    Gupta M, Gupta S, Dureja H, Madan AK.
    Chem Biol Drug Des; 2012 Jan 12; 79(1):38-52. PubMed ID: 22014074
    [Abstract] [Full Text] [Related]

  • 29. QSPR/QSAR analysis of some eccentricity based topological descriptors of antiviral drugs used in COVID-19 treatment via $ \mathscr{D}\varepsilon $- polynomials.
    Sarkarai D, Desikan K.
    Math Biosci Eng; 2023 Sep 05; 20(9):17272-17295. PubMed ID: 37920055
    [Abstract] [Full Text] [Related]

  • 30. Elucidating structure-property relationships of guar gum biomolecules: insights from M -polynomial and QSPR modeling.
    Khalid W, Yousaf S.
    Front Chem; 2024 Sep 05; 12():1410876. PubMed ID: 39045335
    [Abstract] [Full Text] [Related]

  • 31. QSAR of Chalcones Utilizing Theoretical Molecular Descriptors.
    Nandi S, Bagchi MC.
    Curr Comput Aided Drug Des; 2015 Sep 05; 11(2):184-93. PubMed ID: 26135340
    [Abstract] [Full Text] [Related]

  • 32. Distance-based topological polynomials and indices of friendship graphs.
    Gao W, Farahani MR, Imran M, Rajesh Kanna MR.
    Springerplus; 2016 Sep 05; 5(1):1563. PubMed ID: 27652136
    [Abstract] [Full Text] [Related]

  • 33. 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 Sep 05; 44(6):2010-26. PubMed ID: 15554670
    [Abstract] [Full Text] [Related]

  • 34. Bond-based global and local (bond, group and bond-type) quadratic indices and their applications to computer-aided molecular design. 1. QSPR studies of diverse sets of organic chemicals.
    Marrero-Ponce Y, Torrens F, Alvarado YJ, Rotondo R.
    J Comput Aided Mol Des; 2006 Sep 05; 20(10-11):685-701. PubMed ID: 17186417
    [Abstract] [Full Text] [Related]

  • 35. Novel chirality descriptors derived from molecular topology.
    Golbraikh A, Bonchev D, Tropsha A.
    J Chem Inf Comput Sci; 2001 Sep 05; 41(1):147-58. PubMed ID: 11206367
    [Abstract] [Full Text] [Related]

  • 36. Recent Advances in Machine-Learning-Based Chemoinformatics: A Comprehensive Review.
    Niazi SK, Mariam Z.
    Int J Mol Sci; 2023 Jul 15; 24(14):. PubMed ID: 37511247
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  • 37. Applications of 2D descriptors in drug design: a DRAGON tale.
    Helguera AM, Combes RD, González MP, Cordeiro MN.
    Curr Top Med Chem; 2008 Jul 15; 8(18):1628-55. PubMed ID: 19075771
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  • 38. On quantitative structure-property relationship (QSPR) analysis of physicochemical properties and anti-hepatitis prescription drugs using a linear regression model.
    Mahboob A, Rasheed MW, Dhiaa AM, Hanif I, Amin L.
    Heliyon; 2024 Feb 29; 10(4):e25908. PubMed ID: 38380048
    [Abstract] [Full Text] [Related]

  • 39. Persistent spectral hypergraph based machine learning (PSH-ML) for protein-ligand binding affinity prediction.
    Liu X, Feng H, Wu J, Xia K.
    Brief Bioinform; 2021 Sep 02; 22(5):. PubMed ID: 33837771
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  • 40. Shannon's, mutual, conditional and joint entropy information indices: generalization of global indices defined from local vertex invariants.
    Barigye SJ, Marrero-Ponce Y, Santiago OM, López YM, Pérez-Giménez F, Torrens F.
    Curr Comput Aided Drug Des; 2013 Jun 02; 9(2):164-83. PubMed ID: 23700990
    [Abstract] [Full Text] [Related]

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