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Иш: Atom‐Based 2D Quadratic Indices in Drug Discovery of Novel Tyrosinase Inhibitors: Results of <i>In Silico</i> Studies Supported by Experimental Results

  1. Atom, atom-type, and total nonstochastic and stochastic quadratic fingerprints: a promising approach for modeling of antibacterial activity

    Yovani Marrero‐Ponce, Ricardo Medina, Francisco Torrens +3

    Мақола20053 иқтибос
    ABI

  2. Hierarchical orthogonalization of descriptors

    Douglas J. Klein, Milan Randi, Darko Babi +3

    Мақола19973 иқтибос
    ABI

  3. Tomocomd-Cardd, a novel approach for computer-aided ? rational? drug design: I. Theoretical and experimental assessment of a promising method for computational screening and in silico design of new anthelmintic compounds

    Yovani Marrero‐Ponce, Juan A. Castillo‐Garit, Ervelio Olazábal +9

    Мақола20043 иқтибос
    ABI

  4. The Structure-Property Models Can Be Improved Using the Orthogonalized Descriptors

    Bono Lučić, Sonja Nikolić, Nenad Trinajstić +1

    Мақола19953 иқтибос
    ABI

  5. 3D-Chiral quadratic indices of the ‘molecular pseudograph’s atom adjacency matrix’ and their application to central chirality codification: classification of ACE inhibitors and prediction of σ-receptor antagonist activities

    Yovani Marrero‐Ponce, Humberto González‐Díaz, Vicente Romero Zaldívar +2

    Мақола20043 иқтибос
    ABI

  6. 3D-chiral Atom, Atom-type, and Total Non-stochastic and Stochastic Molecular Linear Indices and their Applications to Central Chirality Codification

    Yovani Marrero‐Ponce, Juan A. Castillo‐Garit

    Мақола20053 иқтибос
    ABI

  7. Non-stochastic and stochastic linear indices of the molecular pseudograph’s atom-adjacency matrix: a novel approach for computational in silico screening and “rational” selection of new lead antibacterial agents

    Yovani Marrero‐Ponce, Ricardo Medina Marrero, Francisco Torrens +5

    Мақола20053 иқтибос
    ABI

  8. Quadratic indices of the ‘molecular pseudograph's atom adjacency matrix’ and their stochastic forms: a novel approach for virtual screening and in silico discovery of new lead paramphistomicide drugs-like compounds

    Yovani Marrero‐Ponce, Alma Huesca‐Guillén, Froylán Ibarra‐Velarde

    Мақола20053 иқтибос
    ABI

  9. Assessing the accuracy of prediction algorithms for classification: an overview

    Pierre Baldi, Søren Brunak, Yves Chauvin +2

    Шарҳ мақола20003 иқтибос
    ABI

  10. Total and Local Quadratic Indices of the “Molecular Pseudograph’s Atom Adjacency Matrix”. Application to Prediction of Caco-2 Permeability of Drugs

    Yovani Marrero‐Ponce, Miguel Ángel Cabrera‐Pérez, Vicente Romero Zaldívar +2

    Мақола20033 иқтибос
    ABI

  11. Protein Quadratic Indices of the “Macromolecular Pseudograph’s α-Carbon Atom Adjacency Matrix”. 1. Prediction of Arc Repressor Alanine-mutant’s Stability

    Yovani Marrero‐Ponce, Ricardo Medina Marrero, Eduardo A. Castro +4

    Шарҳ мақола20043 иқтибос
    ABI

  12. Applied Multivariate Statistical Analysis.

    Andrea Johnson, Dean W. Wichern

    Мақола19883 иқтибос
    ABI

  13. Tyrosinase Inhibitors from Rhododendron collettianum and Their Structure-Activity Relationship (SAR) Studies

    Viqar Uddin Ahmad, Farman Ullah, Javid Hussain +4

    Мақола20043 иқтибос
    ABI

  14. Tyrosinase-Inhibitory Long-Chain Esters from Amberboa ramosa

    Sher Bahadar Khan, Azhar-ul-Haq, Nighat Afza +4

    Мақола20053 иқтибос
    ABI

  15. Chemoinformatics and Drug Discovery

    Jun Xu, A. T. Hagler

    Мақола20023 иқтибос
    ABI

  16. Nucleic Acid Quadratic Indices of the “Macromolecular Graph’s Nucleotides Adjacency Matrix”. Modeling of Footprints after the Interaction of Paromomycin with the HIV-1 Ψ-RNA Packaging Region

    Yovani Marrero‐Ponce, Delvin Nodarse, Humberto González‐Díaz +4

    Мақола20043 иқтибос
    ABI

  17. In Silico Studies toward the Discovery of New Anti-HIV Nucleoside Compounds with the Use of TOPS-MODE and 2D/3D Connectivity Indices. 1. Pyrimidyl Derivatives

    Ernesto Estrada, Santiago Vilar, Eugenio Uriarte +1

    Мақола20023 иқтибос
    ABI

  18. Recent Advances on the Role of Topological Indices in Drug Discovery Research

    Ernesto Estrada, Eugenio Uriarte

    Шарҳ мақола20013 иқтибос
    ABI

  19. Chemometric Methods in Molecular Design

    Китоб19953 иқтибос
    ABI

  20. Molecular Connectivity in Structure–activity Analysis

    Stefan Unger

    Мақола19873 иқтибос
    ABI

  21. Protein linear indices of the ‘macromolecular pseudograph α-carbon atom adjacency matrix’ in bioinformatics. Part 1: Prediction of protein stability effects of a complete set of alanine substitutions in Arc repressor

    Yovani Marrero‐Ponce, Ricardo Medina, Juan A. Castillo‐Garit +3

    Мақола20052 иқтибос
    ABI

  22. Virtual high-throughput in silico screening

    Markus H. J. Seifert, Kristina Wolf, Daniel Vitt

    Мақола20032 иқтибос
    ABI

  23. Identification of oxidation product of arbutin in mushroom tyrosinase assay system

    Ken‐ichi Nihei, Isao Kubo

    Мақола20032 иқтибос
    ABI

  24. Role of Tyrosinase as the Determinant of Pigmentation in Cultured Human Melanocytes

    Ken Iozumi, George Hoganson, Raffaele Pennella +2

    Мақола19932 иқтибос
    ABI

  25. Kojic Acid, a Cosmetic Skin Whitening Agent, is a Slow-binding Inhibitor of Catecholase Activity of Tyrosinase

    Juana Cabanes, Soledad Chazarra, Francisco García‐Carmona

    Мақола19942 иқтибос
    ABI