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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. Sarlavhasiz

    Boshqa1117 iqtibos
    ABI

  2. Handbook of Molecular Descriptors

    Roberto Todeschini, Viviana Consonni

    Kitob200019 iqtibos
    ABI

  3. Beware of q2!

    Alexander Golbraikh, Alexander Tropsha

    Maqola200211 iqtibos
    ABI

  4. Resolution of ambiguities in structure-property studies by use of orthogonal descriptors

    Milan Randić

    Maqola19918 iqtibos
    ABI

  5. Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors. 1. Theory of the Novel 3D Molecular Descriptors

    Viviana Consonni, Roberto Todeschini, Manuela Pavan

    Maqola20026 iqtibos
    ABI

  6. Organic-chemical drugs and their synonyms

    Martin Negwer

    Bob19876 iqtibos
    ABI

  7. THE OXIDATION OF DITERPENOID ALKALOIDS

    O. Achmatowicz, Yoshiko Tsuda, Léo Marion

    Maqola19656 iqtibos
    ABI

  8. Total and local (atom and atom type) molecular quadratic indices: significance interpretation, comparison to other molecular descriptors, and QSPR/QSAR applications

    Yovani Marrero‐Ponce

    Maqola20045 iqtibos
    ABI

  9. Statistical Validation of QSAR Results

    Svante Wold, Lennart Eriksson, Sérgio Clementi

    Boshqa19955 iqtibos
    ABI

  10. Atom, atom-type and total molecular linear indices as a promising approach for bioorganic and medicinal chemistry: theoretical and experimental assessment of a novel method for virtual screening and rational design of new lead anthelmintic

    Yovani Marrero‐Ponce, Juan A. Castillo‐Garit, Ervelio Olazábal +8

    Maqola20044 iqtibos
    ABI

  11. Charge Indexes. New Topological Descriptors

    Jorge Gálvez, Ricardo Garcı́a, M. T. Salabert +1

    Maqola19944 iqtibos
    ABI

  12. Linear indices of the ‘macromolecular graph’s nucleotides adjacency matrix’ as a promising approach for bioinformatics studies. Part 1: Prediction of paromomycin’s affinity constant with HIV-1 Ψ-RNA packaging region

    Yovani Marrero‐Ponce, Juan A. Castillo‐Garit, Delvin Nodarse

    Maqola20054 iqtibos
    ABI

  13. Non-stochastic and stochastic linear indices of the ‘molecular pseudograph’s atom adjacency matrix’: application to ‘in silico’ studies for the rational discovery of new antimalarial compounds

    Yovani Marrero‐Ponce, Alina Montero, Carlos Romero Zaldivar +3

    Maqola20044 iqtibos
    ABI

  14. Total and Local Quadratic Indices of the Molecular Pseudograph's Atom Adjacency Matrix: Applications to the Prediction of Physical Properties of Organic Compounds

    Yovani Marrero‐Ponce

    Maqola20034 iqtibos
    ABI

  15. 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

    Yovani Marrero‐Ponce

    Maqola20044 iqtibos
    ABI

  16. Ligand-Based Virtual Screening and in Silico Design of New Antimalarial Compounds Using Nonstochastic and Stochastic Total and Atom-Type Quadratic Maps

    Yovani Marrero‐Ponce, Maité Iyarreta-Veitía, Alina Montero +5

    Maqola20054 iqtibos
    ABI

  17. New 3D molecular descriptors: the WHIM theory and QSAR applications

    Roberto Todeschini, Paola Gramatica

    Maqola19984 iqtibos
    ABI

  18. Glabrene and Isoliquiritigenin as Tyrosinase Inhibitors from Licorice Roots

    Ohad Nerya, Jacob Vaya, Ramadan Musa +3

    Maqola20033 iqtibos
    ABI

  19. Designing sedative/hypnotic compounds from a novel substructural graph-theoretical approach

    Ernesto Estrada, Alfredo Peña, Ramón García‐Domenech

    Maqola19983 iqtibos
    ABI

  20. Chemometric methods in molecular design

    Yvonne C. Martin

    Maqola19963 iqtibos
    ABI

  21. A Novel Approach for the Virtual Screening and Rational Design of Anticancer Compounds

    Ernesto Estrada, Eugenio Uriarte, Alina Montero +3

    Maqola20003 iqtibos
    ABI

  22. Prediction of properties of chiral compounds by molecular topology

    Jesus Vicente de Julián‐Ortiz, C. de Gregorio Alapont, Inmaculada Rı́os-Santamarina +2

    Maqola19983 iqtibos
    ABI

  23. Correlation of enthalphy of octanes with orthogonal connectivity indices

    Milan Randić

    Maqola19913 iqtibos
    ABI

  24. 3D-MEDNEs:  An Alternative “In Silico” Technique for Chemical Research in Toxicology. 1. Prediction of Chemically Induced Agranulocytosis

    Humberto González‐Díaz, Yovani Marrero‐Ponce, Ivan Hernández +10

    Maqola20033 iqtibos
    ABI

  25. Biotransformation of (+)-androst-4-ene-3,17-dione

    M. Iqbal Choudhary, Sadia Sultan, Mahmmud Tareq Hassan Khan +3

    Maqola20043 iqtibos
    ABI