duchow@inifta.unlp.edu.ar2025
Estudio conformacional de peonidina, petunidina y malvidina: actividad antioxidante y antimutagénica en vacío y solventes Fecha: 01/01/20252022
QSAR predictions on antichagas fenarimols Fecha: 01/01/20222021
Ensemble learning application to discover new trypanothione synthetase inhibitors Autores:Alice, Juan Ignacio Bellera, Carolina Leticia Benítez Boné, Diego Raúl Comini, Marcelo A. Duchowicz, Pablo Román Talevi, Alan Fecha: 01/08/20212020
A non-conformational QSAR study for plant-derived larvicides against Zika <i>Aedes aegypti</i> L. vector Fecha: 01/02/20202019
QSAR studies of the antioxidant activity of anthocyanins Fecha: 17/08/20192018
QSAR studies of indoyl aryl sulfides and sulfones as reverse transcriptase inhibitors Autores:Duchowicz, Pablo Román Bacelo, Daniel E. Fioressi, Silvina E. Palermo, Valeria Ibezim, Nnenna E. Romanelli, Gustavo Pablo Fecha: 01/02/2018Linear Regression QSAR Models for Polo-Like Kinase-1 Inhibitors Autores:Duchowicz, Pablo Román Fecha: 01/01/20182017
Quantitative Structure-Property Relationships for Predicting the Retention Indices of Fragrances on Stationary Phases of Different Polarity Autores:Rojas Villa, Cristian Xavier Duchowicz, Pablo Román Tripaldi, Piercosimo Pis Diez, Reinaldo Fecha: 01/11/2017Análisis geoquímico de la calidad de agua en el Valle de Chaschuil-Catamarca Autores:Ortiz, Erlinda del Valle Niz, Adriana E. Savio, Marcelo E. Lamas, Cinthia A. Barbieri, Nazaria R. Duchowicz, Pablo Román Fecha: 01/01/2017Conformation-Independent QSAR Study on Human Epidermal Growth Factor Receptor-2 (HER2) Inhibitors Autores:Duchowicz, Pablo Román Fioressi, Silvina E. Castro, Eduardo Alberto Wróbel, Karolina Ibezim, Nnenna E. Bacelo, Daniel E. Fecha: 01/01/20172016
Avances en estudios QSAR/QSPR con aplicaciones agronómicas Fecha: 01/09/2016Relaciones cuantitativas estructura – actividad larvicida de compuestos naturales en <i>Aedes aegypti</i> vector del virus Zika Fecha: 01/01/2016A New QSPR Study on Relative Sweetness Fecha: 01/01/2016Conformation-independent QSPR approach for the soil sorption coefficient of heterogeneous compounds Autores:Aranda, José Francisco Garro Martinez, Juan C. Castro, Eduardo Alberto Duchowicz, Pablo Román Fecha: 01/01/20162014
QSAR analysis on tacrine-related acetylcholinesterase inhibitors Autores:Wong, K.Y. Mercader, Andrew Gustavo Saavedra Reyes, Laura Marcela Honarparvar, B. Romanelli, Gustavo Pablo Duchowicz, Pablo Román Fecha: 20/09/2014Estudio, desarrollo y aplicación de modelos de la teoria QSAR-QSPR para la correlación de propiedades de interés agronómico Fecha: 01/01/2014Análisis QSPR de índices de retención de aromas medidos en cromatografía de gases Fecha: 01/01/20142012
QSAR study for carcinogenicity in a large set of organic compounds Autores:Duchowicz, Pablo Román Comelli, Nieves Carolina Ortiz, Erlinda del Valle Castro, Eduardo Alberto Fecha: 01/01/20122011
QSAR study and molecular design of open-chain enaminones as anticonvulsant agents Autores:Garro Martinez, Juan C. Duchowicz, Pablo Román Estrada, Mario R. Zamarbide, Graciela N. Castro, Eduardo Alberto Fecha: 01/01/20112010
Predictive QSPR study of the dissociation constants of diverse pharmaceutical compounds Autores:Mercader, Andrew Gustavo Goodarzi, Mohammad Duchowicz, Pablo Román Fernández, Francisco Marcelo Castro, Eduardo Alberto Fecha: 01/01/20102009
QSPR studies on aqueous solubilities of drug-like compounds Autores:Duchowicz, Pablo Román Castro, Eduardo A. Fecha: 01/06/2009QSAR study for the fish toxicity of benzene derivatives Autores:Duchowicz, Pablo Román Marrugo, Juan J. Ortiz, Erlinda V. Castro, Eduardo Alberto Vivas Reyes, Ricardo Fecha: 01/01/20092007
Partial Order Ranking for the aqueous toxicity of aromatic mixtures Fecha: 08/12/2007Comprobacion experimental de datos predichos de capacidades de adsorción mediante la aplicación de relaciones cuantitativas estructura-propiedad (QSPR) para C<SUB>2</SUB>H<SUB>4</SUB> Autores:Castañeta Maroni, Heriberto Duchowicz, Pablo Román Castro, Eduardo Alberto Vicente, José Luis Fernández, Francisco Marcelo Fecha: 01/01/20072006
New Molecular Descriptors based upon the Euler Equations for Chemical Graphs Fecha: 13/03/2006QSPR evaluation of thermodynamic properties of acyclic and aromatic compounds Autores:Duchowicz, Pablo Román Castro, Eduardo Alberto Fernández, Francisco Marcelo Pankratov, A. N. Fecha: 01/01/2006A theoretical study of a family of new quinoxaline derivatives Autores:Pis Diez, Reinaldo Duchowicz, Pablo Román Castañeta Maroni, Heriberto Castro, Eduardo Alberto Fernández, Francisco Marcelo Albesa, Alberto Gustavo Fecha: 01/01/2006Application of a novel ranking approach in QSPR-QSAR Fecha: 01/01/20062005
QSPR modeling of the enthalpy of formation based on Partial Order Ranking Fecha: 01/05/2005Aplicaciones fisicoquímicas y biológicas de la teoría QSPR-QSAR Autores:Duchowicz, Pablo Román Fecha: 01/01/20052004
QSPR calculation of normal boiling points of organic molecules based on the use of correlation weighting of atomic orbitals with extended connectivity of zero- and first-order graphs of atomic orbitals Fecha: 01/12/2004QSPR modeling of the octanol/water partition coefficient of alcohols by means of optimization of correlation weights of local graph invariants Fecha: 01/01/2004QSPR modeling the aqueous solubility of alcohols by optimization of correlation weights of local graph invariants Autores:Duchowicz, Pablo Román Castro, Eduardo Alberto Toropov, Andrey A. Nesterov, Igor V. Nabiev, O. M. Fecha: 01/01/20042003
Structure-toxicity relationships for aliphatic compounds based on Correlation Weighting of Local Graph Invariants Fecha: 01/05/2003A rather simple theoretical calculation of heat of formation of some aromatic nitro compounds Fecha: 01/01/20032002
QSPR modeling of normal boiling point of aldehydes, ketones, and esters by means of nearest neighboring codes correlation weighting Fecha: 01/01/2002Prediction of Critical Temperatures and Critical Pressures of Some Industrially Relevant Organic Substances from Rather Simple Topological Descriptors Fecha: 01/01/20022001
Improved atom equivalents method for converting density functional theory energies calculated on molecular mechanics structures to heats of formation Fecha: 18/12/2001
2003
Structure-toxicity relationships for aliphatic compounds based on Correlation Weighting of Local Graph Invariants Fecha: 01/01/2003
2025
Novel two variable-QSPR analysis for authentication and typification of vegetable oils Autores:Duchowicz, Pablo Román Mandelbaum, Mariano Gabriel Vitale, Arturo Alberto Pomilio, Alicia Beatriz Fecha: 01/11/2025Conformational Space Analysis of Methoxylated Anthocyanidins in Vacuum and Solvents to Explain Antioxidant and Antimutagenic Activities Autores:Szewczuk, Nicolas Alejandro Duchowicz, Pablo Román Pomilio, Alicia Beatriz Lobayan, Rosana Maria Fecha: 01/11/2025Quantitative Structure–Property Relationships (QSPR) for Materials Science Fecha: 01/01/2025Quantitative structure-property relationship for gas-chromatographic retention indices of volatile organic compounds in colored-quinoa seeds Autores:Rojas, Cristian Cedillo, Juan Fernando Sarmiento, Nicole Pis Diez, Reinaldo Duchowicz, Pablo Román Fecha: 01/01/20252024
Prediction of the heats of combustion for food-related organic compounds. A quantitative structure–property relationship (QSPR) study Autores:Diaz, Mario Guillermo Dimarco Palencia, Frida Claudia Daniela Andrada, Matias Fernando Vega Hissi, Esteban Gabriel Duchowicz, Pablo Román Garro Martinez, Juan Ceferino Fecha: 01/08/2024Quantitative structure-insecticidal activity of essential oils on the human head louse (Pediculus humanus capitis ) Autores:Duchowicz, Pablo Román Bennardi, Daniel Oscar Fioressi, Silvina Ethel Bacelo, Daniel Enrique Fecha: 01/08/2024Quantitative structure-insecticidal activity of essential oils on the human head louse ( Pediculus humanus capitis ) Autores:Duchowicz, Pablo Román Bennardi, Daniel Oscar Fioressi, Silvina Ethel Bacelo, Daniel Enrique Fecha: 01/08/20242023
QSPR predicting the vapor pressure of pesticides into high/low volatility classes Autores:Duchowicz, Pablo Román Fioressi, Silvina Ethel Bacelo, Daniel Enrique Quispe, Alexander Q. Yapu, Ebbe L. Castañeta, Heriberto Fecha: 01/12/2023Excito-repellent and Pesticide-Likeness Properties of Essential Oils on Carpophilus dimidiatus (Fabricius) (Nitidulidae) and Oryzaephilus mercator (L.) (Silvanidae) Autores:Comelli, Nieves Carolina Diez, Patricia Alejandra Rodríguez, María Rosa Denett, Gabriel Omar López, Tamara E. Bracamonte, Daniela M. Ortiz, Erlinda del Valle Sampietro, Diego Alejandro Duchowicz, Pablo Román Fecha: 01/09/2023Computational Modeling of Drugs for Neglected Diseases Fecha: 01/01/2023Advances of the QSAR approach as an alternative strategy in the environmental risk assessment Fecha: 01/01/2023Some Medicinal Chemistry Applications of the QSAR/QSPR Theory Fecha: 01/01/2023Resonance structure contributions, flexibility, and frontier molecular orbitals (HOMO–LUMO) of pelargonidin, cyanidin, and delphinidin throughout the conformational space: application to antioxidant and antimutagenic activities Autores:Szewczuk, Nicolas Alejadro Duchowicz, Pablo Román Pomilio, Alicia Beatriz Lobayan, Rosana Maria Fecha: 01/01/20232022
Estudio estructural y conformacional de las antocianinas: pelargonidia, cianidina y delfinidina Autores:Szewczuk, Nicolas Alejadro Lobayan, Rosana Maria Duchowicz, Pablo Román Pomilio, Alicia Beatriz Fecha: 01/12/2022Dietary anthocyanins balance immune signs in osteoarthritis and obesity–update of human in vitro studies and clinical trials Fecha: 01/10/2022Estudio QSAR de la toxicidad aguda de pesticidas en la lombriz Eisenia Foetida Fecha: 01/07/2022In Silico Antiprotozoal Evaluation of 1,4-Naphthoquinone Derivatives against Chagas and Leishmaniasis Diseases Using QSAR, Molecular Docking, and ADME Approaches Autores:Prieto Cárdenas, Lina S. Arias Soler, Karen A. Nossa González, Diana Lisseth Rozo Núñez, Wilson E. Cárdenas-Chaparro, Agobardo Duchowicz, Pablo Román Gómez Castaño, Jovanny Arles Fecha: 01/06/2022Predicción de Propiedades de Sustancias Químicas con la Teoría de las Relaciones Cuantitativas Estructura-Actividad y Estructura-Propiedad Autores:Duchowicz, Pablo Román Fecha: 01/06/2022QSAR predictions on antichagas fenarimols Fecha: 01/01/20222021
Bioinsumos a partir de extractos de plantas aromáticas Autores:Comelli, Nieves Carolina Lencina, Sibila Ivonne Denett, Gabriel Omar Rodríguez, María Rosa Ortiz, Erlinda del Valle Romero, Mirta Evangelina Bistoni, Silvia Noemi Duchowicz, Pablo Román Fecha: 01/12/2021Predicting zebrafish (Danio rerio) embryo developmental toxicity through a non-conformational QSAR approach Fecha: 01/11/2021Ensemble learning application to discover new trypanothione synthetase inhibitors Autores:Alice, Juan Ignacio Bellera, Carolina Leticia Benítez, Diego Comini, Marcelo A. Duchowicz, Pablo Román Talevi, Alan Fecha: 15/07/2021Foodinformatic prediction of the retention time of pesticide residues detected in fruits and vegetables using UHPLC/ESI Q-Orbitrap Autores:Rojas, Cristian Aranda, José Francisco Pacheco Jaramillo, Elisa Losilla Bermejo, Irene Tripaldi, Piercosimo Duchowicz, Pablo Román Castro, Eduardo Alberto Fecha: 01/04/2021Alternative QSAR Study for Unsymmetrical Aromatic Disulfide Anti-SARS Inhibitors Autores:Duchowicz, Pablo Román Fioressi, Silvina Ethel Romanelli, Gustavo Pablo Bacelo, Daniel Enrique Fecha: 01/04/2021Antiprotozoal QSAR modelling for trypanosomiasis (Chagas disease) based on thiosemicarbazone and thiazole derivatives Autores:Nossa González, Diana Lisseth Gómez Castaño, Jovanny Arles Rozo Núñez, Wilson E. Duchowicz, Pablo Román Fecha: 01/03/2021QSAR models for insecticidal properties of plant essential oils on the housefly (Musca domestica L.) QSAR models for insecticidal properties of plant essential oils on the housefly (Musca domestica L.)Autores:Duchowicz, Pablo Román Bennardi, Daniel Oscar Ortiz, Erlinda del Valle Comelli, Nieves Carolina Fecha: 01/03/2021Química computacional de los alimentos: Relaciones cuantitativas estructura-actividad/propiedad (QSAR/QSPR) Autores:Rojas, Cristian Duchowicz, Pablo Román Fecha: 01/01/2021QSAR Classification of Anticancer Heterocyclichydrazones with Reactivity Descriptors Fecha: 01/01/20212020
QSAR models for the fumigant activity prediction of essential oils Autores:Duchowicz, Pablo Román Bennardi, Daniel Oscar Ortiz, Erlinda del Valle Comelli, Nieves Carolina Fecha: 01/12/2020QSAR analysis for the inhibition of the mutagenic activity by anthocyanin derivatives Fecha: 01/10/2020The use of the index of ideality of correlation to build up models for bioconcentration factor Autores:Toropova, Alla P. Duchowicz, Pablo Román Saavedra Reyes, Laura Marcela Castro, Eduardo Alberto Toropov, Andrey A. Fecha: 01/07/2020Prediction of the aqueous solubility of diverse compounds by 2D-QSPR Autores:Fioressi, Silvina Ethel Bacelo, Daniel Enrique Aranda, José Francisco Duchowicz, Pablo Román Fecha: 01/03/2020QSPR study of the Henry's law constant for heterogeneous compounds Autores:Duchowicz, Pablo Román Aranda, José Francisco Bacelo, Daniel Enrique Fioressi, Silvina Ethel Fecha: 01/02/2020QSPR studies on water solubility, octanol-water partition coefficient and vapour pressure of pesticides Autores:Duchowicz, Pablo Román Fecha: 01/01/20202019
A non-conformational QSAR study for plant-derived larvicides against Zika Aedes aegypti L. vector Fecha: 21/12/2019QSAR studies of the antioxidant activity of anthocyanins Fecha: 01/12/2019QSAR study of human epidermal growth factor receptor (EGFR) inhibitors: conformation-independent models Fecha: 01/09/2019Conformation-independent quantitative structure-property relationships study on water solubility of pesticides Autores:Fioressi, Silvina Ethel Bacelo, Daniel Enrique Rojas, Cristian Aranda, José Francisco Duchowicz, Pablo Román Fecha: 01/04/2019Replacement Orthogonal Wavelengths Selection as a new method for multivariate calibration in spectroscopy Fecha: 01/03/2019Quantitative Structure-Property Relationship (QSPR) Studies of Alcoholic and Nonalcoholic Beverages, Including Wines, Beers, and Citrus Juices Fecha: 01/01/2019Foodinformatics: Quantitative Structure-Property Relationship Modeling of Volatile Organic Compounds in Peppers Fecha: 01/01/20192018
QSAR Study of Biologically Active Essential Oils against Beetles Infesting the Walnut in Catamarca, Argentina Autores:Comelli, Nieves Carolina Romero, Oscar Eduardo Diez, Patricia Alejandra Fidelis Marinho, Claudia Schliserman, Pablo Carrizo, Adrian Ortiz, Erlinda del Valle Duchowicz, Pablo Román Fecha: 01/12/2018DFT Study on the Structures and Stability of BenSnn (n=1 – 5) and Be2nSnn (n=1 – 4) Clusters. Fecha: 01/12/2018Quantitative structure–activity relationship (QSAR) analysis of plant-derived compounds with larvicidal activity against Zika Aedes aegypti (Diptera: Culicidae) vector using freely available descriptors Fecha: 01/07/2018Linear Regression QSAR Models for Polo-Like Kinase-1 Inhibitors Autores:Duchowicz, Pablo Román Fecha: 01/02/2018The quantitative structure–insecticidal activity relationships from plant derived compounds against chikungunya and zika Aedes aegypti (Diptera:Culicidae) vector Autores:Saavedra Reyes, Laura Marcela Romanelli, Gustavo Pablo Rozo, Ciro E. Duchowicz, Pablo Román Fecha: 01/01/2018A retention index-based QSPR model for the quality control of rice Autores:Rojas, Cristian Antonio Tripaldi, Piercosimo Pérez González, Andrés Duchowicz, Pablo Román Pis Diez, Reinaldo Fecha: 01/01/20182017
Análisis geoquímico de la calidad de agua en el Valle de Chaschuil-Catamarca Autores:Ortiz, Erlinda del Valle Niz, Adriana Edith Savio, M. E. Lamas, C. A. Barbieri, N. R. Duchowicz, Pablo Román Fecha: 01/12/2017Quantitative Structure-Property Relationships for Predicting the Retention Indices of Fragrances on Stationary Phases of Different Polarity Fecha: 01/11/2017The conformation-independent QSPR approach for predicting the oxidation rate constant of water micropollutants Autores:Ortiz, Erlinda del Valle Bennardi, Daniel Oscar Bacelo, Daniel Enrique Fioressi, Silvina Ethel Duchowicz, Pablo Román Fecha: 01/10/2017Different encoding alternatives for the prediction of halogenated polymers glass transition temperature by quantitative structure-property relationships Fecha: 01/10/2017Predicting the bioconcentration factor through a conformation-independent QSPR study Autores:Aranda, José Francisco Bacelo, Daniel Enrique Leguizamón Aparicio, María Silvia del Valle Ocsachoque, Marco Antonio Castro, Eduardo Alberto Duchowicz, Pablo Román Fecha: 01/09/2017QSAR studies of indoyl aryl sulfides and sulfones as reverse transcriptase inhibitors Autores:Duchowicz, Pablo Román Bacelo, Daniel Enrique Fioressi, Silvina Ethel Palermo, Valeria Ibezim, Nnenna E. Romanelli, Gustavo Pablo Fecha: 01/09/20172016
Conformation-independent QSAR study on human epidermal growth factor receptor-2 (HER2) inhibitors Autores:Duchowicz, Pablo Román Fioressi, Silvina Ethel Castro, Eduardo Alberto Wróbel, Karolina Ibezim, Nnenna E. Bacelo, Daniel Enrique Fecha: 01/12/2016Avances en estudios QSAR/QSPR con aplicaciones agronómicas Fecha: 01/10/2016Análisis QSAR de inhibidores de la actividad de la transcriptasa reversa del HIV Autores:Duchowicz, Pablo Román Bacelo, Daniel Enrique Fioressi, Silvina Ethel Palermo, Valeria Romanelli, Gustavo Pablo Castro, Eduardo Alberto Fecha: 01/10/2016Conformation-independent QSPR approach for the soil sorption coefficient of heterogeneous compounds Autores:Aranda, José Francisco Garro Martinez, Juan Ceferino Castro, Eduardo Alberto Duchowicz, Pablo Román Fecha: 01/08/2016Application of quantitative structure-property relationship analysis to estimate the vapor pressure of pesticides Autores:Goodarzi, Mohammad Coelho, Leandro dos Santos Honarparvar, Bahareh Ortiz, Erlinda del Valle Duchowicz, Pablo Román Fecha: 01/06/2016Encoding alternatives for the prediction of polyacrylates glass transition temperature by quantitative structure-property relationships Fecha: 01/04/2016Considering the Molecular Conformational Flexibility in QSAR Studies Fecha: 01/01/2016A New QSPR Study on Relative Sweetness Fecha: 01/01/2016Applications of Quantitative Structure-Relative Sweetness Relationships in Food Chemistry Fecha: 01/01/20162015
Quantitative structure-property relationship analysis for the retention index of fragrance-like compounds on a polar stationary phase Autores:Rojas Villa, Cristian Xavier Duchowicz, Pablo Román Tripaldi, Piercosimo Pis Diez, Reinaldo Fecha: 01/11/2015Quantitative Structure-Antifungal Activity Relationships for Cinnamate Derivatives Autores:Saavedra Reyes, Laura Marcela Ruiz, Diego Manuel Romanelli, Gustavo Pablo Duchowicz, Pablo Román Fecha: 01/09/2015QSPR study on refractive indices of solvents commonly used in polymer chemistry using flexible molecular descriptors Autores:Fioressi, Silvina Ethel Bacelo, Daniel Enrique Cui, W. P. Saavedra Reyes, Laura Marcela Duchowicz, Pablo Román Fecha: 01/03/2015Enhanced replacement method integration with genetic algorithms populations in QSAR and QSPR theories Fecha: 01/03/2015The Monte Carlo Method Based on Eclectic Data as an Efficient Tool for Predictions of Endpoints for Nanomaterials - Two Examples of Application Autores:Toropov, Andrei A. Toropova, Alla P. Veselinovic, Alexander M. Veselinovic, Jovana B. Nesmerak, Karel Raska, Ivan, J. Duchowicz, Pablo Román Castro, Eduardo Alberto Kudyshkin, Valentin O. Lleszczynska, Danuta Leszczynski, Jerzy Fecha: 01/03/2015QSPR Studies on Refractive Indices of Structurally Heterogeneous Polymers Autores:Duchowicz, Pablo Román Fioressi, Silvina Ethel Bacelo, Daniel Enrique Saavedra Reyes, Laura Marcela Toropova, Alla P. Toropov, Andrey A. Fecha: 01/02/2015QSPR analysis for the retention index of flavors and fragrances on a OV-101 column Fecha: 01/01/20152014
Estudio, Desarrollo y Aplicación de Modelos de la Teoría QSPR-QSAR para la Correlación de Propiedades de Interés Agronómico Fecha: 01/12/2014Análisis QSPR de índices de retención de aromas medidos en cromatografía de gases Fecha: 01/12/2014UV–Vis spectroscopic study and DFT calculation on the solvent effect of trimethoprim in neat solvents and aqueous mixtures Fecha: 01/08/2014QSAR analysis on tacrine-related acetylcholinesterase inhibitors Autores:Wong, Kai Y. Mercader, Andrew Gustavo Saavedra Reyes, Laura Marcela Honarparvar, Bahareh Romanelli, Gustavo Pablo Duchowicz, Pablo Román Fecha: 01/06/2014QSAR models for thiophene and imidazopyridine derivatives inhibitors of the Polo-Like Kinase 1 Fecha: 01/05/2014Lacosamide Derivatives with Anticonvulsant Activity as Carbonic Anhydrase Inhibitors. Molecular Modeling, Docking and QSAR Analysis Autores:Garro Martínez, Juan C, Vega Hissi, Esteban Gabriel Andrada, Matias Fernando Duchowicz, Pablo Román Torrens, Francisco Estrada, Mario R. Fecha: 01/04/2014Conformation-Independent QSAR on c-Src Tyrosine Kinase Inhibitors Autores:Comelli, Nieves Carolina Ortiz, Erlinda del Valle Kolacz, Magdalena Toropova, Alla P. Toropov, Andrey A. Duchowicz, Pablo Román Castro, Eduardo Alberto Fecha: 01/03/2014QSAR on antiproliferative naphthoquinones based on a conformation-independent approach Autores:Duchowicz, Pablo Román Bennardi, Daniel Oscar Bacelo, Daniel Enrique Bonifazi, Evelyn Lucia Ríos Luci, Carla Padron, José M. Burton, Gerardo Misico, Rosana Isabel Fecha: 01/02/20142013
QSAR Applications on Polycyclic Aromatic Hydrocarbons and some derivatives Fecha: 01/12/2013Amino acid profiles and quantitative structure-property relationship models as markers for Merlot and Torrontés wines Autores:Duchowicz, Pablo Román Giraudo, Miguel Angel Domingo Castro, Eduardo Alberto Pomilio, Alicia Beatriz Fecha: 01/05/2013The Importance of the QSAR-QSPR Methodology to the Theoretical Study of Pesticides Fecha: 01/04/20132012
QSAR study for carcinogenicity in a large set of organic compounds Autores:Duchowicz, Pablo Román Comelli, Nieves Carolina Ortiz, Erlinda del Valle Castro, Eduardo Alberto Fecha: 01/11/2012An Integrated Drug Development Approach Applying Topological Descriptors Autores:Talevi, Alan Bellera, Carolina Leticia Di Ianni, Mauricio Emiliano Duchowicz, Pablo Román Bruno Blanch, Luis Enrique Castro, Eduardo Alberto Fecha: 01/07/2012QSAR study of the DPPH radical scavenging activity of di(hetero)arylamines derivatives of benzo[b]thiophenes, halophenols and caffeic acid analogues Autores:Lee, Adam Mercader, Andrew Gustavo Duchowicz, Pablo Román Castro, Eduardo Alberto Pomilio, Alicia Beatriz Fecha: 01/07/2012The Development of More Accurate QSAR Techniques Fecha: 01/05/2012QSAR applications during last decade on inhibitors of acetylcholinesterase in Alzheimer's disease Fecha: 01/05/2012La Aplicación de la Teoría QSAR/QSPR en la Predicción de Actividades Biológicas y Propiedades Fisicoquímicas Fecha: 01/03/2012QSAR on aryl-piperazine derivatives with activity on malaria Fecha: 15/01/2012A Multivariate QSAR Study on the Anticonvulsant Activity of Acetamido-N-Benzylacetamide Derivatives. Influence of Different Molecular Descriptors Autores:Garro Martinez, Juan Ceferino Duchowicz, Pablo Román Estrada, Mario Rinaldo Castro, Eduardo Alberto Fecha: 01/01/2012Quantitative Structure–Activity Relationships of Mosquito Larvicidal Chalcone Derivatives Autores:Pasquale, Gustavo Antonio Romanelli, Gustavo Pablo Autino, Juan Carlos Garcia, Javier Ortiz, Erlinda del Valle Duchowicz, Pablo Román Fecha: 01/01/20122011
QSAR Study and Molecular Design of Open-Chain Enaminones as Anticonvulsant Agents Autores:Garro Martinez, Juan Ceferino Duchowicz, Pablo Román Estrada, Mario R. Zamarbide, Graciela N. Castro, Eduardo Alberto Fecha: 01/09/2011A comparative QSAR on 1,2,5-thiadiazolidin-3-one 1,1-dioxide compounds as selective inhibitors of human serine proteinases Autores:Garcia, Javier Duchowicz, Pablo Román Rozas, Maria Fernanda Caram, José Alberto Mirifico, Maria Virginia Fernández, Francisco Marcelo Castro, Eduardo Alberto Fecha: 01/08/2011Advances in the Replacement and Enhanced Replacement Method in QSAR and QSPR Theories Autores:Mercader, Andrew Gustavo Duchowicz, Pablo Román Fernández, Francisco Marcelo Castro, Eduardo Alberto Fecha: 01/04/20112010
QSPR analyses for aminograms in food: Citrus juices and concentrates Autores:Pomilio, Alicia Beatriz Giraudo, Miguel Angel Domingo Duchowicz, Pablo Román Castro, Eduardo Alberto Fecha: 01/12/2010Predictive QSPR study of the dissociation constants of diverse pharmaceutical compounds Autores:Mercader, Andrew Gustavo Goodarzi, Mohammad Duchowicz, Pablo Román Fernández, Francisco Marcelo Castro, Eduardo Alberto Fecha: 01/11/2010Anti-T. cruzi activities and QSAR studies of 3-arylquinoxaline-2-carbonitrile di-N-oxides Autores:Vicente, Esther Duchowicz, Pablo Román Benítez, Diego Eduardo A. Castro Cerecetto, Hugo González, Mercedes Monge, Antonio Fecha: 01/06/2010Prediction of the Hildebrand parameter of various solvents using linear and nonlinear approaches Fecha: 01/06/2010Sustainable Synthesis of Flavonoid Derivatives, QSAR Study and Insecticidal Activity against the Fall Armyworm, Spodoptera frugiperda (Lep.: Noctuidae) Autores:Romanelli, Gustavo Pablo Virla, Eduardo Gabriel Duchowicz, Pablo Román Gaddi, Ana Laura Ruiz, Diego Manuel Bennardi, Daniel Oscar Ortiz, Erlinda del Valle Autino, Juan Carlos Fecha: 01/05/2010Amino acid profiles and quantitative structure-property relationships for malts and beers Autores:Pomilio, Alicia Beatriz Duchowicz, Pablo Román Giraudo, Miguel Angel Domingo Castro, Eduardo Alberto Fecha: 01/05/2010Linear and non-linear relationships mapping the Henry’s law parameters of organic pesticides Fecha: 01/05/2010pKa modeling and prediction of a series of pH indicators through genetic algorithm-least square support vector regression Fecha: 01/04/2010