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

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

International journal of molecular sciences, 2001-05, Vol.2 (2), p.57-65 [Periódico revisado por pares]

Basel: MDPI AG

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2
Maximum Topological Distances Based Indices as Molecular Descriptors for QSPR. 4. Modeling the Enthalpy of Formation of Hydrocarbons from Elements
Maximum Topological Distances Based Indices as Molecular Descriptors for QSPR. 4. Modeling the Enthalpy of Formation of Hydrocarbons from Elements
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Maximum Topological Distances Based Indices as Molecular Descriptors for QSPR. 4. Modeling the Enthalpy of Formation of Hydrocarbons from Elements

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

International journal of molecular sciences, 2001-06, Vol.2 (2), p.121-132 [Periódico revisado por pares]

Basel: MDPI AG

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3
Reduction of Nitroaromatic Compounds on the Surface of Metallic Iron: Quantum Chemical Study
Reduction of Nitroaromatic Compounds on the Surface of Metallic Iron: Quantum Chemical Study
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Reduction of Nitroaromatic Compounds on the Surface of Metallic Iron: Quantum Chemical Study

Zilberberg, Igor ; Pelmenschikov, Alexander ; Mcgrath, Christian J. ; Davis, William ; Leszczynska, Danuta ; Leszczynski, Jerzy

International journal of molecular sciences, 2002-07, Vol.3 (7), p.801-813 [Periódico revisado por pares]

Basel: MDPI AG

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4
Structure–Toxicity Relationships for Aliphatic Compounds Based on Correlation Weighting of Local Graph Invariants
Structure–Toxicity Relationships for Aliphatic Compounds Based on Correlation Weighting of Local Graph Invariants
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Structure–Toxicity Relationships for Aliphatic Compounds Based on Correlation Weighting of Local Graph Invariants

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

International journal of molecular sciences, 2003-05, Vol.4 (5), p.272-283 [Periódico revisado por pares]

Basel: MDPI AG

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5
Total and Local Quadratic Indices of the “Molecular Pseudograph’s Atom Adjacency Matrix”. Application to Prediction of Caco-2 Permeability of Drugs
Total and Local Quadratic Indices of the “Molecular Pseudograph’s Atom Adjacency Matrix”. Application to Prediction of Caco-2 Permeability of Drugs
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Total and Local Quadratic Indices of the “Molecular Pseudograph’s Atom Adjacency Matrix”. Application to Prediction of Caco-2 Permeability of Drugs

Ponce, Yovani Marrero ; Pérez, Miguel Angel Cabrera ; Zaldivar, Vicente Romero ; Ofori, Ernest ; Montero, Luis A.

International journal of molecular sciences, 2003-08, Vol.4 (8), p.512-536 [Periódico revisado por pares]

Basel: MDPI AG

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6
Enol and Enethiol Occurrence for Some Ketones and Thioketones. Mass Spectrometry and Theoretical Calculations
Enol and Enethiol Occurrence for Some Ketones and Thioketones. Mass Spectrometry and Theoretical Calculations
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Enol and Enethiol Occurrence for Some Ketones and Thioketones. Mass Spectrometry and Theoretical Calculations

Allegretti, Patricia E. ; Schiavoni, María de las Mercedes ; Cortizo, María Susana ; Castro, Eduardo A. ; Furlong, Jorge J. P.

International journal of molecular sciences, 2004-11, Vol.5 (11), p.294-300 [Periódico revisado por pares]

Basel: MDPI AG

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7
Nucleic Acid Quadratic Indices of the "Macromolecular Graph's Nucleotides Adjacency Matrix". Modeling of Footprints after the Interaction of Paromomycin with the HIV-1 [Psi]-RNA Packaging Region
Nucleic Acid Quadratic Indices of the "Macromolecular Graph's Nucleotides Adjacency Matrix". Modeling of Footprints after the Interaction of Paromomycin with the HIV-1 [Psi]-RNA Packaging Region
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Nucleic Acid Quadratic Indices of the "Macromolecular Graph's Nucleotides Adjacency Matrix". Modeling of Footprints after the Interaction of Paromomycin with the HIV-1 [Psi]-RNA Packaging Region

Ponce, Yovani Marrero ; Nodarse, Delvin ; Díaz, Humberto Gonzalez ; Armas, Ronal Ramos De ; Zaldivar, Vicente Romero ; Torrens, Francisco ; Castro, Eduardo A

International journal of molecular sciences, 2004-11, Vol.5 (11), p.276 [Periódico revisado por pares]

Basel: MDPI AG

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8
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
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
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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

Ponce, Yovani Marrero ; Nodarse, Delvin ; Díaz, Humberto González ; De Armas, Ronal Ramos ; Zaldivar, Vicente Romero ; Torrens, Francisco ; Castro, Eduardo A.

International journal of molecular sciences, 2004-11, Vol.5 (11), p.276-293 [Periódico revisado por pares]

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9
Reduction of Sulfur Dioxide on Carbons Catalyzed by Salts
Reduction of Sulfur Dioxide on Carbons Catalyzed by Salts
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Reduction of Sulfur Dioxide on Carbons Catalyzed by Salts

Humeres, Eduardo ; Peruch, Maria da Gloria B. ; Moreira, Regina F.P.M. ; Schreiner, Wido

International journal of molecular sciences, 2005-01, Vol.6 (1), p.130-142 [Periódico revisado por pares]

Basel: MDPI AG

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10
Inductive QSAR Descriptors. Distinguishing Compounds with Antibacterial Activity by Artificial Neural Networks
Inductive QSAR Descriptors. Distinguishing Compounds with Antibacterial Activity by Artificial Neural Networks
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Inductive QSAR Descriptors. Distinguishing Compounds with Antibacterial Activity by Artificial Neural Networks

Cherkasov, Artem

International journal of molecular sciences, 2005-01, Vol.6 (1), p.63-86 [Periódico revisado por pares]

Basel: MDPI AG

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