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AkademIndex

Xizmatlar

Eduardo A. Castro

40 ta ish

National Scientific and Technical Research Council

AkademScholarda batafsil koʻrsatkichlar

  1. QSPR modeling of the enthalpy of formation from elements by means of correlation weighting of local invariants of atomic orbital molecular graphs

    Andrés Mercader, Eduardo A. Castro, Andrey A. Toropov

    Maqola200011 iqtibos
    ABI

  2. Improved Molecular Descriptors Based on the Optimization of Correlation Weights of Local Graph Invariants

    Germán Krenkel, Eduardo A. Castro, Andrey A. Toropov

    Maqola200110 iqtibos
    ABI

  3. Improved QSPR analysis of standard entropy of acyclic and aromatic compounds using optimized correlation weights of linear graph invariants

    Pablo R. Duchowicz, Eduardo A. Castro, Andrey A. Toropov

    Maqola20029 iqtibos
    ABI

  4. Calculation of pK values of flavylium salts from the optimization of correlation weights of local graph invariants

    Pablo J. Peruzzo, Damián Marino, Eduardo A. Castro +1

    Maqola20019 iqtibos
    ABI

  5. Calculation of total molecular electronic energies from Correlation Weighting of Local Graph Invariants

    Andrés Mercader, Eduardo A. Castro, Andrey A. Toropov

    Maqola19998 iqtibos
    ABI

  6. Structure–Toxicity Relationships for Aliphatic Compounds Based on Correlation Weighting of Local Graph Invariants

    Andrey A. Toropov, Pablo R. Duchowicz, Eduardo A. Castro

    Maqola20037 iqtibos
    ABI

  7. New QSPR study for the prediction of aqueous solubility of drug-like compounds

    Pablo R. Duchowicz, Alan Talevi, Luis E. Bruno‐Blanch +1

    Maqola20085 iqtibos
    ABI

  8. 3D and 4D molecular models derived from the ideal symmetry method: prediction of alkanes normal boiling points

    Germán Krenkel, Eduardo A. Castro, Andrey A. Toropov

    Maqola20025 iqtibos
    ABI

  9. 3D-chiral (2.5) atom-based TOMOCOMD-CARDD descriptors: theory and QSAR applications to central chirality codification

    Yovani Marrero‐Ponce, Juan A. Castillo‐Garit, Eduardo A. Castro +2

    Maqola20084 iqtibos
    ABI

  10. Maximum topological distances based indices as molecular descriptors for QSPR. Part 1. Application to alkyl benzenes boiling points

    Mariano Firpo, Luciana Gavernet, Eduardo A. Castro +1

    Maqola20004 iqtibos
    ABI

  11. 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

  12. 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

  13. 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

  14. Atom, Atom-Type, and Total Linear Indices of the “Molecular Pseudograph’s Atom Adjacency Matrix”: Application to QSPR/QSAR Studies of Organic Compounds

    Yovani Marrero‐Ponce, Juan A. Castillo‐Garit, Francisco Torrens +2

    MaqolaOchiq kirish20043 iqtibos
    ABI

  15. 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 maqolaOchiq kirish20043 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

    MaqolaOchiq kirish20043 iqtibos
    ABI

  17. QSAR Carcinogenic Study of Methylated Polycyclic Aromatic Hydrocarbons Based on Topological Descriptors Derived from Distance Matrices and Correlation Weights of Local Graph Invariants

    BioChem Press, Damián Marino, Pablo J. Peruzzo +2

    Maqola20023 iqtibos
    ABI

  18. 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

  19. Maximum topological distances based indices as molecular descriptors for QSPR

    Andrew G. Mercader, Eduardo A. Castro, Andrey A. Toropov

    Maqola20012 iqtibos
    ABI

  20. Simple approximate analytical expressions for the eigenvalues of anharmonic oscillators and confining potential models

    Francisco M. Fernández, Eduardo A. Castro

    Maqola19832 iqtibos
    ABI

  21. QSAR Modeling ANTI-HIV-1 Activities by Optimization of Correlation Weights of Local Graph Invariants

    Eduardo A. Castro, Francisco Torrens, Andrey A. Toropov +2

    Maqola20042 iqtibos
    ABI

  22. Improved Correlation Between Theoretical and Experimental Determination of Heat of Formation of Some Aliphatic Nitro Compounds

    Pablo R. Duchowicz, Eduardo A. Castro, Pei‐Chun Chen

    Maqola20032 iqtibos
    ABI

  23. QSPR modeling of heat of formation and heat of vaporization of aliphatic ketones by means of electrotopological indices

    Damián Marino, Pablo J. Peruzzo, Germán Krenkel +1

    Maqola20032 iqtibos
    ABI

  24. QSAR study of the toxic action of aliphatic compounds to the bacteria Vibrio fisheri based on correlation weighting of local graph invariants

    Eduardo A. Castro, Andrey A. Toropov, A.I. Nesterova +1

    MaqolaOchiq kirishComputational Drug Discovery MethodsJournal of Molecular Structure THEOCHEM20030 iqtibos
    ABI

  25. QSPR modeling of Gibbs free energy of chemical transformations of oil shale components during thermal treatment

    Eduardo A. Castro, Alla P. Toropova, Andrey A. Toropov +1

    MaqolaOchiq kirishHydrocarbon exploration and reservoir analysisSSRN Electronic Journal20030 iqtibos
    ABI