INVESTIGADORES
DUCHOWICZ Pablo Roman
artículos
SZEWCZUK, NICOLAS A.; DUCHOWICZ, PABLO R.; POMILIO, ALICIA B.; LOBAYAN, ROSANA M.
Resonance structure contributions, flexibility, and frontier molecular orbitals (HOMO–LUMO) of pelargonidin, cyanidin, and delphinidin throughout the conformational space: application to antioxidant and antimutagenic activities
JOURNAL OF MOLECULAR MODELING - (Print); Año: 2023 vol. 29
POMILIO, ALICIA B.; SZEWCZUK, NICOLAS A.; DUCHOWICZ, PABLO R.
Dietary anthocyanins balance immune signs in osteoarthritis and obesity–update of human in vitro studies and clinical trials
CRITICAL REVIEWS IN FOOD SCIENCE AND NUTRITION; Año: 2022
DUCHOWICZ, PABLO R.; FIORESSI, SILVINA E.; BACELO, DANIEL E.
QSAR predictions on antichagas fenarimols
Results in Chemistry; Año: 2022 vol. 4
DUCHOWICZ, PABLO R.
Predicción de Propiedades de Sustancias Químicas con la Teoría de las Relaciones Cuantitativas Estructura-Actividad y Estructura-Propiedad
Industria y Química; Año: 2022
RODRIGUEZ, MARIA ROSA; DUCHOWICZ, PABLO ROMAN; COMELLI, NIEVES CAROLINA
QSAR Classification of Anticancer Heterocyclichydrazones With Reactivity Descriptors
International Journal of Quantitative Structure-Property Relationships; Año: 2021 vol. 6 p. 45 - 62
DUCHOWICZ, PABLO ROMAN; FIORESSI, SILVINA; ROMANELLI, GUSTAVO; BACELO, DANIEL E.
Alternative QSAR Study for Unsymmetrical Aromatic Disulfide Anti-SARS Inhibitors
International Journal of Quantitative Structure-Property Relationships; Año: 2021 vol. 6 p. 47 - 57
ROJAS, CRISTIAN; ARANDA, JOSÉ F.; PACHECO JARAMILLO, ELISA; LOSILLA, IRENE; TRIPALDI, PIERCOSIMO; DUCHOWICZ, PABLO R.; CASTRO, EDUARDO A.
Foodinformatic prediction of the retention time of pesticide residues detected in fruits and vegetables using UHPLC/ESI Q-Orbitrap
FOOD CHEMISTRY; Año: 2021 vol. 342
NOSSA GONZÁLEZ, DIANA L.; GÓMEZ CASTAÑO, JOVANNY A.; ROZO NÚÑEZ, WILSON E.; DUCHOWICZ, PABLO R.
Antiprotozoal QSAR modelling for trypanosomiasis (Chagas disease) based on thiosemicarbazone and thiazole derivatives
JOURNAL OF MOLECULAR GRAPHICS & MODELLING.; Año: 2021 vol. 103
SAAVEDRA, LAURA M.; DUCHOWICZ, PABLO R.
Predicting zebrafish (Danio rerio) embryo developmental toxicity through a non-conformational QSAR approach
THE SCIENCE OF TOTAL ENVIRONMENT; Año: 2021 vol. 796
DUCHOWICZ, P.R.; BENNARDI, D.O.; ORTIZ, E.V.; COMELLI, N.C.
QSAR models for insecticidal properties of plant essential oils on the housefly (Musca domestica L.)
SAR AND QSAR IN ENVIRONMENTAL RESEARCH; Año: 2021 vol. 32 p. 395 - 410
ALICE, JUAN I.; BELLERA, CAROLINA L.; BENÍTEZ, DIEGO; COMINI, MARCELO A.; DUCHOWICZ, PABLO R.; TALEVI, ALAN
Ensemble learning application to discover new trypanothione synthetase inhibitors
MOLECULAR DIVERSITY; Año: 2021
SAAVEDRA, L. M.; ROMANELLI, G. P.; DUCHOWICZ, P. R.
A non-conformational QSAR study for plant-derived larvicides against zika Aedes aegypti L. vector
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH; Lugar: HEIDELBERG; Año: 2020 vol. 27 p. 6205 - 6214
DUCHOWICZ, P. R.; ARANDA, J. F.; BACELO, D. E.; FIORESSI, S. E.
QSPR Study of the Henrys Law Constant for Heterogeneous Compounds
CHEMICAL ENGINEERING RESEARCH & DESIGN; Año: 2020
FIORESSI, S. E.; BACELO, D. E.; ARANDA, J. F.; DUCHOWICZ, P. R.
Prediction of the aqueous solubility of diverse compounds by 2D-QSPR
JOURNAL OF MOLECULAR LIQUIDS; Lugar: Amsterdam; Año: 2020
DUCHOWICZ, P. R.
QSPR studies on water solubility, octanol-water partition coefficient and vapour pressure of pesticides
SAR AND QSAR IN ENVIRONMENTAL RESEARCH; Lugar: Londres; Año: 2020
SZEWCZUK, N. A.; DUCHOWICZ, P. R.; POMILIO, A. B.
QSAR Analysis for the Inhibition of the Mutagenic Activity by Anthocyanin Derivatives
International Journal of Quantitative Structure Property Relationships; Año: 2020
DUCHOWICZ, PABLO R.; BENNARDI, DANIEL O.; ORTIZ, ERLINDA V.; COMELLI, NIEVES C.
QSAR models for the fumigant activity prediction of essential oils
JOURNAL OF MOLECULAR GRAPHICS & MODELLING.; Año: 2020 vol. 101
TOROPOVA, ALLA P.; DUCHOWICZ, PABLO R.; SAAVEDRA, LAURA M.; CASTRO, EDUARDO A.; TOROPOV, ANDREY A.
The Use of the Index of Ideality of Correlation to Build Up Models for Bioconcentration Factor
Molecular Informatics; Año: 2020 vol. 39
DUCHOWICZ, PABLO R.; SZEWCZUK, NICOLÁS A.; POMILIO, ALICIA B.
QSAR studies of the antioxidant activity of anthocyanins
JOURNAL OF FOOD SCIENCE AND TECHNOLOGY-MYSORE; Año: 2019 vol. 56 p. 5518 - 5530
FIORESSI, SILVINA E.; BACELO, DANIEL E.; DUCHOWICZ, PABLO R.
QSAR study of human epidermal growth factor receptor (EGFR) inhibitors: conformation-independent models
MEDICINAL CHEMISTRY RESEARCH; Año: 2019 vol. 28 p. 2079 - 2087
GOODARZI, MOHAMMAD; BACELO, DANIEL E.; FIORESSI, SILVINA E.; DUCHOWICZ, PABLO R.
Replacement Orthogonal Wavelengths Selection as a new method for multivariate calibration in spectroscopy
MICROCHEMICAL JOURNAL; Año: 2019 vol. 145 p. 872 - 882
ROJAS, C.; DUCHOWICZ, P. R.; CASTRO, E. A.
Foodinformatics: Quantitative Structure-Property Relationship Modeling of Volatile Organic Compounds in Peppers
JOURNAL OF FOOD SCIENCE; Lugar: Londres; Año: 2019 vol. 84 p. 770 - 781
FIORESSI, S. E.; BACELO, D. E.; ROJAS, C.; ARANDA, J. F.; DUCHOWICZ, P. R.
Conformation-independent Quantitative Structure-Property Relationships study on water solubility of pesticides
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY; Lugar: Amsterdam; Año: 2019 vol. 171 p. 47 - 53
ROJAS, C.; TRIPALDI, P.; PÉREZ-GONZÁLEZ, A.; DUCHOWICZ, P. R.; PIS DIEZ, R.
A retention index-based QSPR model for the quality control of rice
JOURNAL OF CEREAL SCIENCE (PRINT); Lugar: Amsterdam; Año: 2018 vol. 79 p. 303 - 310
COMELLI, NIEVES C.; ROMERO, OSCAR E.; DIEZ, PATRICIA A.; MARINHO, CLAUDIA F.; SCHLISERMAN, PABLO; CARRIZO, ADRIAN; ORTIZ, ERLINDA V.; DUCHOWICZ, PABLO R.
QSAR Study of Biologically Active Essential Oils against Beetles Infesting the Walnut in Catamarca, Argentina
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY; Año: 2018 vol. 66 p. 12855 - 12865
SAAVEDRA, L. M.; ROMANELLI, G. P.; ROZO, C. E.; DUCHOWICZ, P. R.
QSAR study on potential natural insecticidal compounds against Chikungunya and Zika vector Aedes aegypti (Diptera:Culicidae)
THE SCIENCE OF TOTAL ENVIRONMENT; Año: 2018 vol. 610 p. 937 - 943
DUCHOWICZ, P. R.
Linear Regression QSAR Models for Polo-Like Kinase-1 Inhibitors
Cells; Año: 2018 vol. 7 p. 1 - 11
DUCHOWICZ, P. R.; BACELO, D. E.; FIORESSI, S. E.; PALERMO, V.; IBEZIM, N. E.; ROMANELLI, G. P.
QSAR studies of indoyl aryl sulfides and sulfones as reverse transcriptase inhibitors
MEDICINAL CHEMISTRY RESEARCH; Año: 2018 vol. 27 p. 420 - 428
FIORESSI, SILVINA E.; DUCHOWICZ, PABLO; BACELO, DANIEL E.
DFT Study on the Structures and Stability of BenSnn (n=1 – 5) and Be2nSnn (n=1 – 4) Clusters.
ChemistrySelect; Año: 2018 vol. 3 p. 13017 - 13024
SAAVEDRA, L. M.; ROMANELLI, G. P.; DUCHOWICZ, P. R.
Quantitative Structure-Activity Relationship (QSAR) analysis of plant derived compounds with larvicidal activity against Zika Aedes aegypti (Diptera: Culicidae) vector using freely available descriptors
PEST MANAGEMENT SCIENCE; Lugar: Londres; Año: 2018 vol. 74 p. 1608 - 1615
ORTIZ, E. V.; BENNARDI, D. O.; BACELO, D. E.; FIORESSI, S. E.; DUCHOWICZ, P. R.
The conformation-independent QSPR approach for predicting the oxidation rate constant of water micropollutants
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH; Lugar: HEIDELBERG; Año: 2017 vol. 24 p. 27366 - 27375
DUCHOWICZ, P. R.; FIORESSI, S. E.; CASTRO, E. A.; WROBEL, K.; IBEZIM, N. E.; BACELO, D. E.
Conformation-Independent QSAR Study on Human Epidermal Growth Factor Receptor-2 (HER2) Inhibitors
ChemistrySelect; Año: 2017 vol. 2 p. 3725 - 3731
DUCHOWICZ, P. R.; BACELO, D. E.; MERCADER, A. G.
Different Encoding Alternatives for the Prediction of Halogenated Polymers Glass Transition Temperature by Quantitative Structure-Property Relationships
INTERNATIONAL JOURNAL OF POLYMER ANALYSIS AND CHARACTERIZATION; Lugar: Londres; Año: 2017 vol. 22 p. 639 - 648
ARANDA, J. F.; BACELO, D. E.; LEGUIZAMÓN APARICIO, M. S.; OCSACHOQUE, M. A.; CASTRO, E. A.; DUCHOWICZ, P. R.
Predicting the Bioconcentration Factor Through a Conformation-Independent QSPR Study
SAR AND QSAR IN ENVIRONMENTAL RESEARCH; Lugar: Londres; Año: 2017 vol. 28 p. 749 - 763
ORTIZ, E. V.; NIZ, A. E.; SAVIO, M. E.; LAMAS, C. A.; BARBIERI, N. R.; DUCHOWICZ, P. R.
Análisis geoquímico de la calidad de agua en el Valle de Chaschuil-Catamarca
Revista de Tecnología y Ciencias Aplicadas; Año: 2017 vol. 2 p. 17 - 22
ROJAS, C.; DUCHOWICZ, P. R.; TRIPALDI, P.; PIS DIEZ, R.
Quantitative Structure-Property Relationships for Predicting the Retention Indices of Fragrances on Stationary Phases of Different Polarity
The Journal of the Argentine Chemical Society; Año: 2017 vol. 104 p. 173 - 193
GOODARZI, M.; COELHO, L. D. S.; HONARPARVAR, B.; ORTIZ, E. V.; DUCHOWICZ, P. R.
Application of quantitative structure-property relationship analysis to estimate the vapor pressure of pesticides
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY; Lugar: Amsterdam; Año: 2016 vol. 128 p. 52 - 60
MERCADER, A. G.; DUCHOWICZ, P. R.
Encoding Alternatives for the Prediction of Polyacrylates Glass Transition Temperature by Quantitative Structure-Property Relationships
MATERIALS CHEMISTRY AND PHYSICS; Lugar: Amsterdam; Año: 2016 vol. 172 p. 158 - 164
ARANDA, JOSÉ F.; GARRO MARTINEZ, JUAN C.; CASTRO, EDUARDO A.; DUCHOWICZ, PABLO R.
Conformation-independent QSPR approach for the soil sorption coefficient of heterogeneous compounds
International Journal of Molecular Sciences; Año: 2016 vol. 17 p. 1247 - 1255
ARANDA, J. F.; DUCHOWICZ, P. R.
Avances en estudios QSAR/QSPR con aplicaciones agronómicas
Investigación Joven; Año: 2016 vol. 3 p. 85 - 85
P. R. DUCHOWICZ; S. E. FIORESSI; D. E. BACELO; L. M. SAAVEDRA; A. P. TOROPOVA; A. A. TOROPOV
QSPR Studies on Refractive Indices of Structurally Heterogeneous Polymers
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS; Lugar: Amsterdam; Año: 2015 vol. 140 p. 86 - 91
ROJAS, C.; DUCHOWICZ, P. R.; TRIPALDI, P.; PIS DIEZ, R.
QSPR Analysis for the Gas-Phase Retention Index of Flavors and Fragrances. Part 1. OV-101 Column
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS; Lugar: Amsterdam; Año: 2015 vol. 140 p. 126 - 132
TOROPOV, A. A.; TOROPOVA, A. P.; VESELINOVIC, A. M.; VESELINOVIC, J. B.; NESMERAK, K.; RASKA, IVAN, J.; DUCHOWICZ, P. R.; CASTRO, E. A.
The Monte Carlo Method Based on Eclectic Data as an Efficient Tool for Predictions of Endpoints for Nanomaterials - Two Examples of Application
COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING; Lugar: Oak Park; Año: 2015 vol. 18 p. 376 - 386
SAAVEDRA, L. M.; RUIZ, D. M.; ROMANELLI, G. P.; DUCHOWICZ, P. R.
Quantitative Structure-Antifungal Activity Relationships for Cinnamate Derivatives
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY; Lugar: Amsterdam; Año: 2015 vol. 122 p. 521 - 527
ORTIZ, E. V.; NIZ, A. E.; CEJAS, G. G.; DUCHOWICZ, P. R.
Aplicación del ACP para la caracterización Hidrogeológica y Fisicoquímica del Valle Central de Catamarca
Investigaciones en Facultades de Ingeniería del NOA; Año: 2015 p. 633 - 638
MERCADER, A. G.; DUCHOWICZ, P. R.
Enhanced replacement method integration with genetic algorithms populations in QSAR and QSPR theories
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS; Lugar: Amsterdam; Año: 2015 vol. 149 p. 117 - 122
ROJAS, C.; TRIPALDI, P.; DUCHOWICZ, P. R.
A New QSPR Study on Relative Sweetness
International Journal of Quantitative Structure-Property Relationships; Año: 2015 vol. 1 p. 78 - 93
ROJAS, C.; DUCHOWICZ, P. R.; TRIPALDI, P.; PIS DIEZ, R.
Quantitative structure-property relationship analysis for the retention index of fragrance-like compounds on a polar stationary phase
JOURNAL OF CHROMATOGRAPHY - A; Lugar: Amsterdam; Año: 2015 vol. 1422 p. 277 - 288
FIORESSI, S. E.; BACELO, D. E.; CUI, W. P.; SAAVEDRA, L. M.; DUCHOWICZ, P. R.
QSPR studies on refractive indices of solvents commonly used in polymers´s chemistry using flexible molecular descriptors
SAR AND QSAR IN ENVIRONMENTAL RESEARCH; Lugar: Londres; Año: 2015 vol. 26 p. 499 - 506
J. C. GARRO MARTINEZ; E. VEGA-HISSI; M. ANDRADA; P. R. DUCHOWICZ; F. TORRENS; M. R. ESTRADA
Lacosamide Derivatives With Anticonvulsant Activity as Carbonic Anhydrase Inhibitors. Molecular Modelling, Docking and QSAR Analysis
CURRENT COMPUTER-AIDED DRUG DESIGN; Lugar: Oak Park; Año: 2014 vol. 10 p. 160 - 167
ROJAS, C.; DUCHOWICZ, P. R.; PIS DIEZ, R.
Análisis QSPR de índices de retención de aromas medidos en cromatografía de gases
Investigacion Joven; Año: 2014 vol. 1 p. 61 - 61
ARANDA, J. F.; DUCHOWICZ, P. R.; CASTRO, E. A.
Estudio, Desarrollo y Aplicación de Modelos de la Teoría QSPR-QSAR para la Correlación de Propiedades de Interés Agronómico
Investigacion Joven; Año: 2014 vol. 1 p. 56 - 56
ALMANDOZ, M. C.; SANCHO, M. I.; DUCHOWICZ, P. R.; BLANCO, S. E.
UV-Vis spectroscopic study and DFT calculation on the solvent effect of trimethoprim in neat solvents and aqueous mixtures
SPECTROCHIMICA ACTA A: MOLECULAR AND BIOMOLECULAR SPECTROSCOPY; Lugar: Amsterdam; Año: 2014 vol. 129 p. 52 - 60
WONG, K. Y.; MERCADER, A. G.; SAAVEDRA, L. M.; HONARPARVAR, B.; ROMANELLI, G. P.; DUCHOWICZ, P. R.
QSAR Analysis on Tacrine Inhibitors of Acetylcholinesterase
JOURNAL OF BIOMEDICAL SCIENCE; Lugar: Londres; Año: 2014 vol. 21 p. 84 - 91
COMELLI, N. C.; DUCHOWICZ, P. R.; CASTRO, E. A.
QSAR models for Thiophene and Imidazopyridine derivatives inhibitors of the polo-like kinase 1
EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES; Lugar: Amsterdam; Año: 2014 vol. 62 p. 171 - 179
COMELLI, N. C.; ORTIZ, E. V.; KOLACZ, M.; TOROPOVA, A. P.; TOROPOV, A. A.; DUCHOWICZ, P. R.; CASTRO, E. A.
Conformation-Independent QSAR on c-Src Tyrosine Kinase Inhibitors
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS; Lugar: Amsterdam; Año: 2014 vol. 134 p. 47 - 52
DUCHOWICZ, P. R.; BENNARDI, D. O.; BACELO, D. E.; BONIFAZI, E. L.; RIOS-LUCI, C.; PADRON, J. M.; BURTON, G.; MISICO, R. I.
QSAR on Antiproliferative Naphthoquinones Based on a Conformation-Independent Approach
EUROPEAN JOURNAL OF MEDICAL CHEMISTRY; Lugar: Paris; Año: 2014 vol. 77 p. 176 - 184
P. R. DUCHOWICZ; M. A. GIRAUDO; E. A. CASTRO; A. B. POMILIO
Amino acid profiles and quantitative structure-property relationship models as markers for Merlot and Torrontés wines
FOOD CHEMISTRY; Lugar: Amsterdam; Año: 2013 vol. 140 p. 210 - 216
P. R. DUCHOWICZ; E. A. CASTRO
The Importance of the QSAR-QSPR Methodology to the Theoretical Study of Pesticides
International Journal of Chemical Modeling; Año: 2013 vol. 5 p. 35 - 50
M. F. ANDRADA; P. R. DUCHOWICZ; E. A. CASTRO
QSAR Applications on Polycyclic Aromatic Hydrocarbons
CURRENT ORGANIC CHEMISTRY; Lugar: Oak Park; Año: 2013 vol. 17 p. 2872 - 2879
P. R. DUCHOWICZ; N. C. COMELLI; E. V. ORTIZ; E. A. CASTRO
QSAR study for carcinogenicity in a large set of organic compounds
Current Drug Safety; Año: 2012 vol. 7 p. 282 - 288
A. LEE; A. G. MERCADER; E. A. CASTRO; P. R. DUCHOWICZ
The Development of More Accurate QSAR Techniques
The SciTech, Journal of Science & Technology; Año: 2012 vol. 1 p. 3 - 39
A. TALEVI; C. L. BELLERA; M. DI IANNI; P. R. DUCHOWICZ; L. E. BRUNO BLANCH; E. A. CASTRO
An Integrated Drug Development Approach Applying Topological Descriptors
CURRENT COMPUTER-AIDED DRUG DESIGN; Lugar: Oak Park; Año: 2012 vol. 8 p. 172 - 181
A. LEE; A. G. MERCADER; P. R. DUCHOWICZ; E. A. CASTRO; A. B. POMILIO
QSAR study of the DPPH radical scavenging activity of di(hetero)arylamines derivatives of benzo[b]thiophenes, halophenols and caffeic acid analogues
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS; Lugar: Amsterdam; Año: 2012 vol. 116 p. 33 - 40
E. IBEZIM; P. R. DUCHOWICZ; E. V. ORTIZ; E. A. CASTRO
QSAR on Aryl-Piperazine Derivatives with Activity on Malaria
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS; Lugar: Amsterdam; Año: 2012 p. 81 - 88
J. C. GARRO MARTINEZ; P. R. DUCHOWICZ; M. R. ESTRADA; E. A. CASTRO
A Multivariate QSAR Study on the Anticonvulsant Activity of Acetamido-N-Benzylacetamide Derivatives. Influence of Different Molecular Descriptors
MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY; Año: 2012 vol. 67 p. 745 - 758
N. C. COMELLI; P. R. DUCHOWICZ; A. H. JUBERT; E. A. CASTRO
QSPR Study of Valproic Acid and Its Functionalized Derivatives
Molecular Informatics; Año: 2012 vol. 31 p. 181 - 188
R. VILLAMAYOR; P. R. DUCHOWICZ
La Aplicación de la Teoría QSAR/QSPR en la Predicción de Actividades Biológicas y Propiedades Fisicoquímicas
Anales de la Sociedad Científica Argentina; Año: 2012 p. 25 - 30
K. Y. WONG; P. R. DUCHOWICZ; A. G. MERCADER; E. A. CASTRO
QSAR Applications During Last Decade on Inhibitors of Acetylcholinesterase in Alzheimer?s Disease
MINI-REVIEWS IN MEDICINAL CHEMISTRY; Lugar: Oak Park; Año: 2012 vol. 12 p. 936 - 946
G. PASQUALE; G. P. ROMANELLI; J. C. AUTINO; J. GARCIA; E. V. ORTIZ; P. R. DUCHOWICZ
Quantitative Structure-Activity Relationships on Chalcone Derivatives: Mosquito Larvicidal Studies
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY; Lugar: Washington; Año: 2012 vol. 60 p. 692 - 697
ALAN TALEVI; MOHAMMAD GOODARZI; ERLINDA V. ORTIZ; PABLO R. DUCHOWICZ; CAROLINA L. BELLERA; GUIDO PESCE; EDUARDO A. CASTRO; LUIS E. BRUNO-BLANCH
Prediction of drug intestinal absorption by new linear and non-linear QSPR
EUROPEAN JOURNAL OF MEDICAL CHEMISTRY; Año: 2011 vol. 46 p. 218 - 228
PABLO R. DUCHOWICZ; MARÍA V. MIRÍFICO; MARÍA F. ROZAS; JOSÉ A. CARAM; FRANCISCO M. FERNÁNDEZ; EDUARDO A. CASTRO
Quantitative structurespectral property relationships for functional groups of novel
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS; Año: 2011 vol. 105 p. 27 - 37
L. M. A. MULLEN; P. R. DUCHOWICZ; E. A. CASTRO
QSAR treatment on a new class of triphenylmethyl-containing compounds as potent anticancer agents
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS; Año: 2011 vol. 107 p. 269 - 275
A. G. MERCADER; P. R. DUCHOWICZ; F. M. FERNÁNDEZ; E. A. CASTRO
Advances in the Replacement and Enhanced Replacement Method in QSAR and QSPR Theories
JOURNAL OF CHEMICAL INFORMATION AND MODELING; Año: 2011 vol. 51 p. 1575 - 1581
P. R. DUCHOWICZ; M. A. GIRAUDO; E. A. CASTRO; A. B. POMILIO
Quantitative Structure-Property Relationship Analyses of Aminograms in Food: Hard Cheeses
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS; Año: 2011 vol. 107 p. 384 - 390
J. GARCIA; P. R. DUCHOWICZ; M. F. ROZAS; J. A. CARAM; M. V. MIRIFICO; F. M. FERNANDEZ; E. A. CASTRO
A Comparative QSAR on 1,2,5-Thiadiazolidin-3-one 1,1-dioxide Compounds as Selective Inhibitors of Human Serine Proteinases
JOURNAL OF MOLECULAR GRAPHICS & MODELLING.; Año: 2011 vol. 31 p. 10 - 19
JUAN C. GARRO-MARTINEZ; PABLO R. DUCHOWICZ; MARIO R. ESTRADA; GRACIELA N. ZAMARBIDE; E. A. CASTRO
QSAR Study and Molecular Design of Open-Chain Enaminones as Anticonvulsant Agents
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES; Lugar: Basel; Año: 2011 vol. 12 p. 9354 - 9368
PABLO R. DUCHOWICZ; JUAN J. MARRUGOH.; RICARDO VIVAS-REYES; EDUARDO A. CASTRO
QSPR Applied on Gas Chromatography Indices of Polycyclic Aromatic Compounds
INTERNATIONAL JOURNAL OF ENVIRONMENTAL SCIENCE AND TECHNOLOGY; Año: 2010 vol. 1 p. 73 - 77
ESTHER VICENTE; PABLO R. DUCHOWICZ; ERLINDA DEL V. ORTIZ; ANTONIO MONGE; EDUARDO A. CASTRO
Exploring 3-arylquinoxaline-2-carbonitrile 1,4-di-N-oxides Activities Against Neglected Diseases with QSAR
CHEMICAL BIOLOGY & DRUG DESIGN; Año: 2010 vol. 76 p. 59 - 69
G. P. ROMANELLI; E. VIRLA; P. R. DUCHOWICZ; A. L. GADDI; D. M. RUIZ; D. O. BENNARDI; E. V. ORTIZ; J. C. AUTINO
Sustainable Synthesis of Flavonoid Derivatives, QSAR Study and Insecticidal Activity Against the Fall Armyworm, Spodoptera frugiperda (Lep.: Noctuidae)
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY; Año: 2010 vol. 58 p. 6290 - 6295
ALICIA B. POMILIO; PABLO R. DUCHOWICZ; MIGUEL A. GIRAUDO; EDUARDO A. CASTRO
Amino acid profiles and quantitative structureproperty relationships for malts and beers
FOOD RESEARCH INTERNATIONAL; Año: 2010 vol. 43 p. 965 - 971
ANDREW G. MERCADER; PABLO R. DUCHOWICZ; FRANCISCO M. FERNANDEZ; EDUARDO A. CASTRO
Replacement Method and Enhanced Replacement Method Versus the Genetic Algorithm Approach for the Selection of Molecular Descriptors in QSPR/QSAR Theories
JOURNAL OF CHEMICAL INFORMATION AND MODELING; Año: 2010 vol. 50 p. 1542 - 1548
ANDREW G. MERCADER; MOHAMMAD GOODARZI; PABLO R. DUCHOWICZ; FRANCISCO M. FERNANDEZ; EDUARDO A. CASTRO
Predictive QSPR Study of the Dissociation Constants of Diverse Pharmaceutical Compounds
CHEMICAL BIOLOGY & DRUG DESIGN; Año: 2010 vol. 76 p. 433 - 440
ESTHER VICENTE; PABLO R. DUCHOWICZ; DIEGO BENÍTEZ; EDUARDO A. CASTRO; HUGO CERECETTO; MERCEDES GONZÁLEZ; ANTONIO MONGE
Anti-T. cruzi activities and QSAR studies of 3-arylquinoxaline-2-carbonitrile di-N-oxides
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS; Año: 2010 vol. 20 p. 4831 - 4835
ALICIA B. POMILIO; MIGUEL A. GIRAUDO; PABLO R. DUCHOWICZ; EDUARDO A. CASTRO
QSPR analyses for aminograms in food: Citrus juices and concentrates
FOOD CHEMISTRY; Año: 2010 vol. 123 p. 917 - 927
MOHAMMAD GOODARZI; ERLINDA V. ORTIZ; LEANDRO DOS S. COELHO; PABLO R. DUCHOWICZ
Linear and non-linear relationships mapping the Henrys law parameters of organic pesticides
ATMOSPHERIC ENVIRONMENT; Año: 2010 vol. 44 p. 3179 - 3186
MOHAMMAD GOODARZI; MATHEUS P. FREITAS; CHIH H. WU; PABLO R. DUCHOWICZ
pKa modeling and prediction of a series of pH indicators through genetic algorithm-least square support vector regression
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS; Año: 2010 vol. 101 p. 102 - 109
M. GOODARZI; P. R. DUCHOWICZ; M. P. FREITAS; F. M. FERNÁNDEZ
Prediction of the Hildebrand Parameter of Various Solvents Using Linear and Nonlinear Approaches
FLUID PHASE EQUILIBRIA; Año: 2010 vol. 293 p. 130 - 136
VICENTE, E.; DUCHOWICZ, P. R.; CASTRO, A.; MONGE, A.
QSAR Analysis for Quinoxaline-2-Carboxylate 1,4-di-N-oxides as Anti-Mycobacterial Agents
JOURNAL OF MOLECULAR GRAPHICS & MODELLING.; Año: 2009 vol. 28 p. 28 - 36
DUCHOWICZ, P. R.; OCSACHOQUE, M.
Quantitative Structure-Toxicity Models for Heterogeneous Aliphatic Compounds
QSAR & COMBINATORIAL SCIENCE; Año: 2009 vol. 28 p. 281 - 295
GOODARZI, M.; DUCHOWICZ, P. R.; WU, C. H.; FERNANDEZ, F. M.; CASTRO, E. A.
New Hybrid Genetic Based Support Vector Regression as QSAR Approach for Analyzing FlavonoidsGABA(A) Complexes
JOURNAL OF CHEMICAL INFORMATION AND MODELING; Año: 2009 vol. 49 p. 1475 - 1485
DUCHOWICZ, P. R.; CASTRO, E. A.
QSPR Studies on Aqueous Solubilities of Drug-Like Compounds
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES; Año: 2009 vol. 10 p. 2558 - 2577
J. C. GARRO MARTINEZ; P. R. DUCHOWICZ; M. R. ESTRADA; G. N. ZAMARBIDE; E. A. CASTRO
Anticonvulsant Activity of Ringed Enaminones: A QSAR Study
QSAR & COMBINATORIAL SCIENCE; Año: 2009 vol. 28 p. 1376 - 1385
DUCHOWICZ, P. R.; GOODARZI, M.; OCSACHOQUE, M. A.; ROMANELLI, G. P.; ORTIZ, E. V.; AUTINO, J. C.; BENNARDI, D. O.; RUIZ, D. M.; CASTRO, E. A.
QSAR Analysis on Spodoptera litura Antifeedant Activities for Flavone Derivatives
SCIENCE OF THE TOTAL ENVIRONMENT; Año: 2009 vol. 408 p. 277 - 285
MERCADER, A. G.; DUCHOWICZ, P. R.; FERNANDEZ, F. M.; CASTRO, E. A.; CABRERIZO, F. M.; THOMAS, A. H.
Predictive Modeling of the Total Deactivation Rate Constant of Singlet Oxygen by Heterocyclic Compounds
JOURNAL OF MOLECULAR GRAPHICS & MODELLING.; Año: 2009 vol. 28 p. 12 - 19
DUCHOWICZ, P. R.; MARRUGO HERNANDEZ, J. J.; ORTIZ, E. V.; CASTRO, E. A.; VIVAS REYES, R.
QSAR Study for the Fish Toxicity of Benzene Derivatives
Journal of the Argentine Chemical Society; Año: 2009 vol. 97 p. 116 - 127
MERCADER, A. G.; DUCHOWICZ, P. R.; FERNANDEZ, F. M.; CASTRO, E. A.; WOLCAN, E.
QSPR Study of solvent quenching of the 5D0-7F2 emission of Eu(6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-3,5-octanedionate)3
CHEMICAL PHYSICS LETTERS; Año: 2008 vol. 462 p. 352 - 357
DUCHOWICZ, P. R.; MERCADER, A. G.; FERNÁNDEZ, F. M.; CASTRO, E. A.
Prediction of Aqueous Toxicity for Heterogeneous Phenol Derivatives by QSAR
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS; Año: 2008 vol. 90 p. 97 - 107
DUCHOWICZ, P. R.; CASTRO, E. A.; FERNÁNDEZ, F. M.
Application of a Novel Ranking Approach in QSPR-QSAR
JOURNAL OF MATHEMATICAL CHEMISTRY; Año: 2008 vol. 43 p. 620 - 636
MERCADER, A. G.; DUCHOWICZ, P. R.; FERNÁNDEZ, F. M.; CASTRO, E. A.
Modified and Enhanced Replacement Method for the Selection of Molecular Descriptors in QSAR and QSPR theories
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS; Año: 2008 vol. 92 p. 138 - 144
DUCHOWICZ, P. R.; COBOS, C. J.
Gaussian-3 Study of the Thermochemistry of the Germane and its Fluoro Chloro Derivatives
JOURNAL OF PHYSICAL CHEMISTRY A; Año: 2008 vol. 112 p. 6198 - 6204
MERCADER, A. G.; DUCHOWICZ, P. R.; FERNÁNDEZ, F. M.; CASTRO, E. A.; BENNARDI, D. O.; AUTINO, J. C.; ROMANELLI, G. P.
QSAR Prediction of inhibition of aldose reductase for flavonoids
BIOORGANIC & MEDICINAL CHEMISTRY.; Año: 2008 vol. 16 p. 7470 - 7476
DUCHOWICZ, P. R.; VITALE, M. G.; CASTRO, E. A.
Partial Order Ranking for the Aqueous Toxicity of Aromatic Mixtures
JOURNAL OF MATHEMATICAL CHEMISTRY; Año: 2008 vol. 44 p. 541 - 549
DUCHOWICZ, P. R.; GARRO, J. C. M.; CASTRO, E. A.
QSPR Study of the Henrys Law Constant for Hydrocarbons
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS; Año: 2008 vol. 91 p. 133 - 140
DUCHOWICZ, P. R.; VITALE, M. G.; CASTRO, E. A.; AUTINO, J. C.; ROMANELLI, G. P.; BENARDI, D. O.
QSAR Modeling of the Interaction of Flavonoids with GABA(A) Receptor
EUROPEAN JOURNAL OF MEDICAL CHEMISTRY; Año: 2008 vol. 43 p. 1593 - 1602
DUCHOWICZ, PABLO R.; TALEVI, A.; BRUNO-BLANCH, L. E.; CASTRO, E. A.
New QSPR Study for the Prediction of Aqueous Solubility of Drug-Like Compounds
BIOORGANIC & MEDICINAL CHEMISTRY.; Año: 2008 vol. 16 p. 7944 - 7955
DUCHOWICZ, P. R.; VITALE, M. G.; FERNÁNDEZ, M.; CABALLERO, J.
QSAR Analysis for Heterocyclic Antifungals
BIOORGANIC & MEDICINAL CHEMISTRY.; Año: 2007 vol. 15 p. 2680 - 2689
DUCHOWICZ, P. R.; CASTRO, E. A.
QSAR Studies for the Pharmacological Inhibition of Glycogen Synthase Kinase-3
Medicinal Chemistry; Año: 2007 vol. 3 p. 393 - 417
DUCHOWICZ, P. R.; PÉREZ-GONZÁLEZ, M.; HELGUERA, A. M.; CORDEIRO, M. N. D. S.; CASTRO, E. A.
Application of the Replacement Method as Novel Variable Selection in QSPR. 2. Soil Sorption Coefficients
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS; Año: 2007 vol. 88 p. 197 - 203
DUCHOWICZ, P. R.; TALEVI, A.; BELLERA, C.; BRUNO-BLANCH, L. B.; CASTRO, E. A.
Application of Descriptors Based on Lipinski Rules in the QSPR Study of Aqueous Solubilities
BIOORGANIC & MEDICINAL CHEMISTRY.; Año: 2007 vol. 15 p. 3711 - 3719
MERCADER, A. G.; DUCHOWICZ, P. R.; SANSERVINO, M. A.; FERNÁNDEZ, F. M.; CASTRO, E. A.
QSPR Analysis of Fluorophilicity for Organic Compounds
JOURNAL OF FLUORINE CHEMISTRY; Año: 2007 vol. 128 p. 484 - 492
DUCHOWICZ, P. R.; BUCKNUM, M. J.; CASTRO, E. A.
New Molecular Descriptors Based Upon the Euler Equations for Chemical Graphs
JOURNAL OF MATHEMATICAL CHEMISTRY; Año: 2007 vol. 41 p. 193 - 208
P. R. DUCHOWICZ; M. J. BUCKNUM; E. A. CASTRO
New Molecular Descriptors Based Upon the Euler Equations for Chemical Graphs
Journal of Mathematical Chemistry; Año: 2007 vol. 41 p. 193 - 208
P. R. DUCHOWICZ; F. M. FERNÁNDEZ; E. A. CASTRO
Alternative Algorithm for the Search of an Optimal Set of Descriptors in QSPR-QSAR Theories
Communications in Mathematical and in Computer Chemistry (MATCH); Año: 2006 vol. 55 p. 179 - 192
HELGUERA, A. M.; DUCHOWICZ, P. R.; PÉREZ, M. A. C.; CASTRO, E. A.; CORDEIRO, M. N. D. S.; GONZÁLEZ, M. P.
Application of the Replacement Method as Novel Variable Selection Strategy in QSAR. 1. Carcinogenic Potential.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS; Año: 2006 vol. 81 p. 180 - 187
DUCHOWICZ, P. R.; CASTAÑETA, H.; CASTRO, E. A.; FERNÁNDEZ, F. M.; VICENTE, J. L.
QSPR Prediction of the Dubinin-Radushkevich´s k parameter for the adsorption of organic vapors on BPL Carbon
ATMOSPHERIC ENVIRONMENT; Año: 2006 vol. 40 p. 2929 - 2934
DUCHOWICZ, P. R.; FERNÁNDEZ, M.; CABALLERO, J.; CASTRO, E. A.; FERNÁNDEZ, F. M.
QSAR of Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase
BIOORGANIC & MEDICINAL CHEMISTRY.; Año: 2006 vol. 14 p. 5876 - 5889
KATRITZKY, A. R.; PACUREANU, L.; DOBCHEV, D. A.; FARA, D. C.; DUCHOWICZ, P. R.; KARELSON, M.
QSAR Modeling of the Inhibition of Glycogen Synthase Kinase-3
BIOORGANIC & MEDICINAL CHEMISTRY.; Año: 2006 p. 4987 - 5002
PIS DIEZ, R.; DUCHOWICZ, P. R.; CASTAÑETA, H.; CASTRO, E. A.; FERNÁNDEZ, F. M.; ALBESA, A. G.
A Theoretical Study of a Family of New Quinoxaline Derivatives
JOURNAL OF MOLECULAR GRAPHICS & MODELLING.; Año: 2006 vol. 25 p. 487 - 494
CASTRO, E. A.; DUCHOWICZ, P. R.; TOROPOV, A. A.; NURGALIEV, I. N.; KUDYSHKIN, V. O.
QSPR Prediction of Chain-Transfer Constants Employing Optimal Descriptors
Global Journal of Molecular Sciences; Año: 2006 vol. 1 p. 9 - 14
DUCHOWICZ, P. R.; GARRO, J. C. M.; ANDRADA, M. F.; CASTRO, E. A.; FERNÁNDEZ, F. M.
QSPR Modeling of Heats of Combustion for Carboxylic Acids
QSAR & Combinatorial Science; Año: 2006 vol. 26 p. 647 - 652
DUCHOWICZ, P. R.; CASTRO, E. A.; FERNÁNDEZ, F. M.; PANKRATOV, A. N.
QSPR Evaluation of Thermodynamic Properties of Acyclic and Aromatic Compounds
Journal of the Argentine Chemical Society; Año: 2006 vol. 94 p. 31 - 45
P. R. DUCHOWICZ; E. A. CASTRO
Comparison between two different approaches toward atomic radii
Kragujevac Journal of Science; Año: 2005 vol. 27 p. 51 - 56
E. A. CASTRO; F. M. FERNÁNDEZ; P. R. DUCHOWICZ
QSPR Modeling of the Enthalpy of Formation Based on Partial Order Ranking
Journal of Mathematical Chemistry; Año: 2005 vol. 37 p. 433 - 441
P. R. DUCHOWICZ; E. A. CASTRO; F. M. FERNÁNDEZ; M. P. GONZALEZ
A New Search Algorithm for QSPR/QSAR Theories. Normal Boiling Points of Some Organic Molecules
Chemical Physics Letters; Año: 2005 vol. 412 p. 376 - 380
P. R. DUCHOWICZ; E. A. CASTRO
QSPR Calculation of Aromaticity in some five-membered heteroatomic compounds
Journal of Theoretical and Computational Chemistry; Año: 2004 vol. 3 p. 145 - 153
P. R. DUCHOWICZ; E. A. CASTRO; A. A. TOROPOV; A. I. NESTEROVA; O. M. NABIEV
QSPR modeling of the octanol/water partition coefficient of alcohols by means of optimization of correlation weights of local graph invariants
Journal of the Argentine Chemical Society; Año: 2004 vol. 92 p. 29 - 42
P. R. DUCHOWICZ; E. A. CASTRO
Comparisons Among Different Approaches Toward Atomic Radii
Philippine Journal of Science; Año: 2004 vol. 133 p. 45 - 53
P. R. DUCHOWICZ; E. A. CASTRO; A. A. TOROPOV; I. V. NESTEROV; O. M. NABIEV
QSPR modeling the aqueous solubility of alcohols by optimization of correlation weights of local graph invariants
Molecular Diversity; Año: 2004 vol. 8 p. 325 - 330
I. V. NESTEROV; A. A. TOROPOV; P. R. DUCHOWICZ; E. A. CASTRO
An Improved QSPR Modeling of Hydrocarbon Dipole Moments
The ScientificWorldJOURNAL; Año: 2004 vol. 4 p. 956 - 964
F. M. FERNÁNDEZ; E. A. CASTRO; P. R. DUCHOWICZ
Los Descriptores Ortogonales en la Teoría QSAR-QSPR
AFINIDAD; Año: 2004 vol. 61 p. 476 - 495
P. R. DUCHOWICZ; F. M. FERNÁNDEZ; E. A. CASTRO
Alternative Statistical and Theoretical Analysis of Fluorophilicity
Journal of Fluorine Chemistry; Año: 2004 vol. 125 p. 43 - 48
F. M. FERNÁNDEZ; P. R. DUCHOWICZ; E. A. CASTRO
About Orthogonal Descriptors in QSPR/QSAR Theories
MATCH Communications in Mathematical and in Computer Chemistry; Año: 2004 vol. 51 p. 39 - 57
CASTRO, E. A.; DUCHOWICZ, P. R.; FERNÁNDEZ, F. M.; TOROPOV, A. A.; NESTEROVA, A. I.; NAZAROV, A. U.
QSPR Modeling of Enthalpies of Formation from Elements of Coordination Compounds by Correlation Weighting of Nearest Neighboring Codes
Journal of Theoretical and Computational Chemistry; Año: 2004 vol. 3 p. 31 - 41
M. P. GONZALEZ; A. A. TOROPOV; P. R. DUCHOWICZ; E. A. CASTRO
QSPR Calculation of Normal Boiling Points of Organic Molecules Based on the Use of Correlation
Molecules; Año: 2004 vol. 9 p. 1019 - 1023
P. R. DUCHOWICZ; E. A. CASTRO
A Rather Simple Theoretical Calculation of Heat of Formation of Some Aromatic Nitro Compounds
Journal of the Argentine Chemical Society; Año: 2003 vol. 90 p. 29 - 41
P. R. DUCHOWICZ; P. C. CHEN; E. A. CASTRO
Improved Correlations Between Theoretical and Experimental Determination of Heat of Formation of Certain Aliphatic Nitro Compounds
Journal of the Korean Chemical Society; Año: 2003 vol. 47 p. 1 - 7
A. A. TOROPOV; P. R. DUCHOWICZ; E. A. CASTRO
Structure-toxicity relationships for aliphatic compounds based on correlation weighting of local graph invariants
International Journal of Molecular Sciences; Año: 2003 vol. 4 p. 272 - 283
P. R. DUCHOWICZ; R. G. SIÑARI; E. A. CASTRO; A. A. TOROPOV
Maximum Topological Distances Based Indices as Molecular Descriptors for QSPR. V- Modeling the Free Energy of Hydrocarbons
Indian Journal of Chemistry; Año: 2003 vol. 42 p. 1354 - 1359
A. A. TOROPOV; O. M. NABIEV; P. R. DUCHOWICZ; E. A. CASTRO; F. TORRENS
QSPR Modeling of Dipole Moment by Means of Correlation Weighting of Local Graph Invariants
Journal of Theoretical and Computational Chemistry; Año: 2003 vol. 2 p. 139 - 146
P. R. DUCHOWICZ; E. A. CASTRO
QSPR Study of the Acidity of Carbon Acids in Aqueous Solution
Mendeleev Communications; Año: 2002 p. 187 - 189
P. DUCHOWICZ; E. A. CASTRO; A. A. TOROPOV
QSPR Modeling of Normal Boiling Points of Aldehydes, Ketones and Esters by Means of Nearest Neighboring Codes Correlation Weighting
Journal of the Argentine Chemical Society; Año: 2002 vol. 90 p. 91 - 107
P. DUCHOWICZ; E. A. CASTRO
Improved atom equivalents method for converting density functional theory energies calculated on molecular mechanics structures to heats of formation
ARKIVOC; Año: 2001 vol. 3 p. 227 - 241
P. DUCHOWICZ; E. A. CASTRO
Improved QSPR prediction of heats of formation of alkenes
Journal of the Korean Chemical Society; Año: 2000 vol. 44 p. 501 - 506
P. DUCHOWICZ; E. A. CASTRO
A rather simple method to calculate log P values in QSAR/QSPR
Acta Chimica Slovenica; Año: 2000 vol. 47 p. 281 - 292
P. DUCHOWICZ; E. A. CASTRO
Hydrocarbon enthalpies of formation from ab initio calculations improved through bond parameters
Journal of the Korean Chemical Society; Año: 1999 vol. 43 p. 621 - 627
