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Иш: Bond-based 2D TOMOCOMD-CARDD approach for drug discovery: aiding decision-making in ‘in silico’ selection of new lead tyrosinase inhibitors

  1. Сарлавҳасиз

    Бошқа1117 иқтибос
    ABI

  2. Handbook of Molecular Descriptors

    Roberto Todeschini, Viviana Consonni

    Китоб200019 иқтибос
    ABI

  3. Beware of q2!

    Alexander Golbraikh, Alexander Tropsha

    Мақола200211 иқтибос
    ABI

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

    Milan Randić

    Мақола19918 иқтибос
    ABI

  5. Mathematical Methods for Physics and Engineering

    K. F. Riley, M. P. Hobson, S. J. Bence

    Китоб20068 иқтибос
    ABI

  6. Topological Indices and Related Descriptors in QSAR and QSPR

    Китоб20007 иқтибос
    ABI

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

    Viviana Consonni, Roberto Todeschini, Manuela Pavan

    Мақола20026 иқтибос
    ABI

  8. Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

    Peter Ertl, Bernhard Rohde, Paul M. Selzer

    Мақола20006 иқтибос
    ABI

  9. Organic-chemical drugs and their synonyms

    Martin Negwer

    Боб19876 иқтибос
    ABI

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

    Yovani Marrero‐Ponce

    Мақола20045 иқтибос
    ABI

  11. Statistical Validation of QSAR Results

    Svante Wold, Lennart Eriksson, Sérgio Clementi

    Бошқа19955 иқтибос
    ABI

  12. Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactions

    Arup K. Ghose, Gordon M. Crippen

    Мақола19875 иқтибос
    ABI

  13. Chemometric methods in molecular design

    H. Van De Waterbeemd

    Китоб19955 иқтибос
    ABI

  14. Chemical Graph Theory

    Nenad Trinajstić

    Китоб20185 иқтибос
    ABI

  15. 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

    Мақола20044 иқтибос
    ABI

  16. Charge Indexes. New Topological Descriptors

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

    Мақола19944 иқтибос
    ABI

  17. 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

    Мақола20054 иқтибос
    ABI

  18. 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

    Мақола20044 иқтибос
    ABI

  19. 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

    Мақола20034 иқтибос
    ABI

  20. 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

    Мақола20044 иқтибос
    ABI

  21. 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

    Мақола20054 иқтибос
    ABI

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

    Roberto Todeschini, Paola Gramatica

    Мақола19984 иқтибос
    ABI

  23. Molecular Connectivity in Structure-Activity Analysis

    Lemont B. Kier, Lowell H. Hall

    Китоб19864 иқтибос
    ABI

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

    Ernesto Estrada, Alfredo Peña, Ramón García‐Domenech

    Мақола19983 иқтибос
    ABI

  25. Arbutin: mechanism of its depigmenting action in human melanocyte culture.

    Kazuhisa Maeda, Mitsunori Fukuda

    Мақола19963 иқтибос
    ABI