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67 ta ish

Ish: 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

    Maqola20053 iqtibos
    ABI

  2. Hierarchical orthogonalization of descriptors

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

    Maqola19973 iqtibos
    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

    Maqola20043 iqtibos
    ABI

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

    Bono Lučić, Sonja Nikolić, Nenad Trinajstić +1

    Maqola19953 iqtibos
    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

    Maqola20043 iqtibos
    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

    Maqola20053 iqtibos
    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

    Maqola20053 iqtibos
    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

    Maqola20053 iqtibos
    ABI

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

    Pierre Baldi, Søren Brunak, Yves Chauvin +2

    Sharh maqola20003 iqtibos
    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

    Maqola20033 iqtibos
    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

    Sharh maqola20043 iqtibos
    ABI

  12. Applied Multivariate Statistical Analysis.

    Andrea Johnson, Dean W. Wichern

    Maqola19883 iqtibos
    ABI

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

    Viqar Uddin Ahmad, Farman Ullah, Javid Hussain +4

    Maqola20043 iqtibos
    ABI

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

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

    Maqola20053 iqtibos
    ABI

  15. Chemoinformatics and Drug Discovery

    Jun Xu, A. T. Hagler

    Maqola20023 iqtibos
    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

    Maqola20043 iqtibos
    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

    Maqola20023 iqtibos
    ABI

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

    Ernesto Estrada, Eugenio Uriarte

    Sharh maqola20013 iqtibos
    ABI

  19. Chemometric Methods in Molecular Design

    Kitob19953 iqtibos
    ABI

  20. Molecular Connectivity in Structure–activity Analysis

    Stefan Unger

    Maqola19873 iqtibos
    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

    Maqola20052 iqtibos
    ABI

  22. Virtual high-throughput in silico screening

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

    Maqola20032 iqtibos
    ABI

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

    Ken‐ichi Nihei, Isao Kubo

    Maqola20032 iqtibos
    ABI

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

    Ken Iozumi, George Hoganson, Raffaele Pennella +2

    Maqola19932 iqtibos
    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

    Maqola19942 iqtibos
    ABI