• Computational study of the hydrogen peroxide scavenging mechanism of allyl methyl disulfide, an antioxidant compound from garlic                                          Vega-Hissi, E.G., Andrada, M.F., Díaz, M.G., Garro Martinez, J.C.            2019      Molecular Diversity

23(4), pp. 985-995

• About endothermic sorption of tyrosine on chitosan films                                    Takara, E.A., Vega-Hissi, E.G., Garro-Martinez, J.C., Marchese, J., Ochoa, N.A.          2019      Carbohydrate Polymers

206, pp. 57-64

• Density functional theory study of the oxidation reaction in the gas and aqueous phase of allyl methyl disulfide with hydroxyl radical                                                 Díaz, M.G., Andrada, M.F., Vega-Hissi, E.G., Martinez, J.C.G.    2019      Structural Chemistry

30(1), pp. 237-245

• Synthesis, anti-parasitic activity and QSAR study of a new library of polysubstituted tetrahydronaphtho[1,2-b]azepines                                                Yépes, A.F., Bahsas, A., Escobar, P., (...), Garro Martinez, J.C., Enriz, R.                2018      Medicinal Chemistry Research

27(10), pp. 2239-2264

• Impact assessment of the rational selection of training and test sets on the predictive ability of QSAR models                                                                             Andrada, M.F., Vega-Hissi, E.G., Estrada, M.R., Garro Martinez, J.C.      2017      SAR and QSAR in Environmental Research

28(12), pp. 1011-1023

• The electronic density obtained from a QTAIM analysis used as molecular descriptor. A study performed in a new series of DHFR inhibitors                      Tosso, R.D., Vettorazzi, M., Andujar, S.A., (...), Nogueras, M., Cobo, J. 2017               Journal of Molecular Structure

1134, pp. 464-474

• Dihydrofolate reductase inhibitors: a quantitative structure–activity relationship study using 2D-QSAR and 3D-QSAR methods                                      Garro Martinez, J.C., Andrada, M.F., Vega-Hissi, E.G., (...), Enriz, R.D., Estrada, M.R.     2017               Medicinal Chemistry Research

26(1), pp. 247-261

• Conformation-independent QSPR approach for the soil sorption coefficient of heterogeneous compounds                                                                                               Aranda, J.F., Garro Martinez, J.C., Castro, E.A., Duchowicz, P.R.               2016      International Journal of Molecular Sciences

17(8),1247

• Application of k-means clustering, linear discriminant analysis and multivariate linear regression for the development of a predictive QSAR model on 5-lipoxygenase inhibitors                                                                                                       Andrada, M.F., Vega-Hissi, E.G., Estrada, M.R., Garro Martinez, J.C.        2015      Chemometrics and Intelligent Laboratory Systems

143, pp. 122-129

• QSAR and 3D-QSAR studies applied to compounds with anticonvulsant activity Garro Martinez, J.C., Vega-Hissi, E.G., Andrada, M.F., Estrada, M.R.             2015      Expert Opinion on Drug Discovery

10(1), pp. 37-51

• Quantitative structure activity relationship and binding investigation of N-alkyl glycine amides as inhibitors of Leukotriene A4 hydrolase                                        Paz, P.B., Vega-Hissi, E.G., Andrada, M.F., Estrada, M.R., Garro Martinez, J.C.  2015               Medicinal Chemistry Research

24(2), pp. 496-504

• Allyl methyl sulfide, garlic sulfur compound: Theoretical-computational study of its antioxidant activity against hydrogen peroxide | [Alilmetilsulfuro, compuesto azufrado del ajo: Estudio téoricocomputacional de su actividad antioxidante frente al peróxido de hidrógeno]                                                           Andrada, M., Vega-Hissi, E., Martinez, J.G., Estrada, M.               2014      Journal of the Argentine Chemical Society

101(1-2), pp. 955-962

• Influence of intermolecular interactions in the conformational stability in the chelating agent 1,3-TADAB | [Influencia de las interacciones intramoleculares en la estabilidad conformacional en el agente quelante 1,3-TADAB]                        Spedalettia, C.A., Vega-Hissia, E.G., Andradaa, M.F., Estradaa, M.R., Garro Martinez, J.C.          2014               Journal of the Argentine Chemical Society

101(1-2), pp. 970-975

• In silico identification of the active conformation of open-chain enaminones with anticonvulsant activity                                                                                                 Garro Martinez, J.C., Vega-Hissi, E.G., Andrada, M.F., Spedaletti, C., Estrada, M.R.     2014      Medicinal Chemistry Research

23(5), pp. 2528-2535

• Lacosamide derivatives with anticonvulsant activity as carbonic anhydrase inhibitors. Molecular modeling, docking and QSAR analysis                           Martinez, J.C.G., Vega-Hissi, E.G., Andrada, M.F., (...), Torrens, F., Estrada, M.R.            2014               Current Computer-Aided Drug Design

10(2), pp. 160-167

• A multivariate QSAR study on the anticonvulsant activity of acetamido-N-benzylacetamide derivatives. Influence of different molecular descriptors Martinez, J.C.G., Duchowicz, P.R., Estrada, M.R., Castro, E.A.    2012      Match

67(3), pp. 745-758

• In Silico Modeling of the Molecular Structure and Binding of Leukotriene A4 into Leukotriene A4 Hydrolase                                                                                              Paz, P.B., Vega-Hissi, E.G., Estrada, M.R., Garro Martinez, J.C.           2012      Chemical Biology and Drug Design

80(6), pp. 902-908

• QSAR study and molecular design of open-chain enaminones as anticonvulsant agents                                                                                                                                                 Garro Martinez, J.C., Duchowicz, P.R., Estrada, M.R., Zamarbide, G.N., Castro, E.A.       2011      International Journal of Molecular Sciences

12(12), pp. 9354-9368

• Anticonvulsant activity of ringed enaminones: A QSAR study                            Garro Martinez, J.C., Duchowicz, P.R., Estrada, M.R., Zamarbide, G.N., Castro, E.        2009      QSAR and Combinatorial Science

28(11-12), pp. 1376-1385

• A full conformational space analysis of bilirubin                                                             Vega Hissi, E.G., Martínez, J.C.G., Zamarbide, G.N., (...), Tomás-Vert, F., Csizmadia, I.G.                2009      Journal of Molecular Structure: THEOCHEM

911(1-3), pp. 24-29

• Thermodynamics of competing oxidation reactions of allyl methyl disulfide by hydrogen peroxide: a first principle molecular computational study on the conformations of allyl methyl disulfide and its oxidized products              Andrada, M.F., Martínez, J.C.G., Szori, M., (...), Estrada, M.R., Csizmadia, I.G.  2008      Journal of Physical Organic Chemistry

21(12 SPEC. ISS.), pp. 1048-1058

• Experimental and theoretical vibrational study of tetraaquatris(succinate)diholmium(III) hexahydrate, a bidimensional hybrid coordination polymer                                                                                                           Bernini, M.C., Garro, J.C., Brusau, E.V., Narda, G.E., Varetti, E.L.               2008      Journal of Molecular Structure

888(1-3), pp. 113-123

• An exploratory study to investigate possible simple descriptors in order to predict relative activity of antiepileptic enaminones                                                  Garro Martinez, J.C., Andrada, M.F., Estrada, M.R., (...), Mucsi, Z., Csizmadia, I.G.         2008               Journal of Physical Organic Chemistry

21(5), pp. 409-418

• QSPR study of the Henry's Law constant for hydrocarbons                            Duchowicz, P.R., Garro, J.C.M., Castro, E.A.       2008               Chemometrics and Intelligent Laboratory Systems

91(2), pp. 133-140

• QSPR modeling of heats of combustion for carboxylic acids                                    Duchowicz, P.R., Garro, J.C.M., Andrada, M.F., Castro, E.A., Fernández, F.M.   2007      QSAR and Combinatorial Science

26(5), pp. 647-652