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86 ta ish

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

  1. Sarlavhasiz

    Boshqa1 274 iqtibos
    ABI

  2. Handbook of Molecular Descriptors

    Roberto Todeschini, Viviana Consonni

    Kitob200022 iqtibos
    ABI

  3. Beware of q2!

    Alexander Golbraikh, Alexander Tropsha

    Maqola200213 iqtibos
    ABI

  4. Topological Indices and Related Descriptors in QSAR and QSPR

    Kitob20009 iqtibos
    ABI

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

    Milan Randić

    Maqola19919 iqtibos
    ABI

  6. Mathematical Methods for Physics and Engineering

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

    Kitob20068 iqtibos
    ABI

  7. Chemical Graph Theory

    Nenad Trinajstić

    Kitob20187 iqtibos
    ABI

  8. 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

  9. 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

    Maqola20006 iqtibos
    ABI

  10. Organic-chemical drugs and their synonyms

    Martin Negwer

    BobOchiq kirish19876 iqtibos
    ABI

  11. 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

  12. Statistical Validation of QSAR Results

    Svante Wold, Lennart Eriksson, Sérgio Clementi

    Boshqa19955 iqtibos
    ABI

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

    Arup K. Ghose, Gordon M. Crippen

    MaqolaOchiq kirish19875 iqtibos
    ABI

  14. Chemometric methods in molecular design

    H. Van De Waterbeemd

    Kitob19955 iqtibos
    ABI

  15. Molecular Connectivity in Structure-Activity Analysis

    Lemont B. Kier, Lowell H. Hall

    Kitob19865 iqtibos
    ABI

  16. 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

  17. Charge Indexes. New Topological Descriptors

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

    Maqola19944 iqtibos
    ABI

  18. 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

  19. 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

  20. 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

    MaqolaOchiq kirish20034 iqtibos
    ABI

  21. 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

  22. 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

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

    Roberto Todeschini, Paola Gramatica

    Maqola19984 iqtibos
    ABI

  24. Molecular Connectivity in Structure–activity Analysis

    Stefan Unger

    Maqola19874 iqtibos
    ABI

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

    Ernesto Estrada, Alfredo Peña, Ramón García‐Domenech

    Maqola19983 iqtibos
    ABI