Linear Regression QSAR Models for Polo-Like Kinase-1 Inhibitors von Duchowicz, Pablo R

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Encoding alternatives for the prediction of polyacrylates glass transition temperature by quantitative structure–property relationships von Mercader, Andrew G., Duchowicz, Pablo R.

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The conformation-independent QSPR approach for predicting the oxidation rate constant of water micropollutants von Ortiz, Erlinda V., Bennardi, Daniel O., Bacelo, Daniel E., Fioressi, Silvina E., Duchowicz, Pablo R.

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Predicting zebrafish (Danio rerio) embryo developmental toxicity through a non-conformational QSAR approach von Saavedra, Laura M., Duchowicz, Pablo R.

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QSPR studies on aqueous solubilities of drug-like compounds von Duchowicz, Pablo R, Castro, Eduardo A

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New QSPR study for the prediction of aqueous solubility of drug-like compounds von Duchowicz, Pablo R., Talevi, Alan, Bruno-Blanch, Luis E., Castro, Eduardo A.

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In Silico Antiprotozoal Evaluation of 1,4-Naphthoquinone Derivatives against Chagas and Leishmaniasis Diseases Using QSAR, Molecular Docking, and ADME Approaches von Prieto Cárdenas, Lina S, Arias Soler, Karen A, Nossa González, Diana L, Rozo Núñez, Wilson E, Cárdenas-Chaparro, Agobardo, Duchowicz, Pablo R, Gómez Castaño, Jovanny A

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QSAR Study for Carcinogenicity in a Large Set of Organic Compounds von R Duchowicz, Pablo, C Comelli, Nieves, V Ortiz, Erlinda, A Castro, Eduardo

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QSAR study and molecular design of open-chain enaminones as anticonvulsant agents von Garro Martinez, Juan C, Duchowicz, Pablo R, Estrada, Mario R, Zamarbide, Graciela N, Castro, Eduardo A

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Quantitative structure–property relationship analysis for the retention index of fragrance-like compounds on a polar stationary phase von Rojas, Cristian, Duchowicz, Pablo R., Tripaldi, Piercosimo, Pis Diez, Reinaldo

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Foodinformatics: Quantitative Structure‐Property Relationship Modeling of Volatile Organic Compounds in Peppers von Rojas, Cristian, Duchowicz, Pablo R., Castro, Eduardo A.

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Foodinformatic prediction of the retention time of pesticide residues detected in fruits and vegetables using UHPLC/ESI Q-Orbitrap von Rojas, Cristian, Aranda, José F., Pacheco Jaramillo, Elisa, Losilla, Irene, Tripaldi, Piercosimo, Duchowicz, Pablo R., Castro, Eduardo A.

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Resonance structure contributions, flexibility, and frontier molecular orbitals (HOMO–LUMO) of pelargonidin, cyanidin, and delphinidin throughout the conformational space: applicat... von Szewczuk, Nicolas A., Duchowicz, Pablo R., Pomilio, Alicia B., Lobayan, Rosana M.

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Quantitative structure–activity relationship (QSAR) analysis of plant‐derived compounds with larvicidal activity against Zika Aedes aegypti (Diptera: Culicidae) vector using freely... von Saavedra, Laura M, Romanelli, Gustavo P, Duchowicz, Pablo R

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Excito-repellent and Pesticide-Likeness Properties of Essential Oils on Carpophilus dimidiatus (Fabricius) (Nitidulidae) and Oryzaephilus mercator (L.) (Silvanidae) von Comelli, Nieves C., Diez, Patricia A., Rodríguez, María R., Denett, Gabriel O., López, Tamara E., Bracamonte, Daniela M., Ortiz, Erlinda V., Sampietro, Diego A., Duchowicz, Pablo R.

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QSPR predicting the vapor pressure of pesticides into high/low volatility classes von Duchowicz, Pablo R., Fioressi, Silvina E., Bacelo, Daniel E., Quispe, Alexander Q., Yapu, Ebbe L., Castañeta, Heriberto

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QSPR study of the Henry’s law constant for heterogeneous compounds von Duchowicz, Pablo R., Aranda, José F., Bacelo, Daniel E., Fioressi, Silvina E.

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A non-conformational QSAR study for plant-derived larvicides against Zika Aedes aegypti L. vector von Saavedra, Laura M., Romanelli, Gustavo P., Duchowicz, Pablo R.

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QSAR on aryl-piperazine derivatives with activity on malaria von Ibezim, Emmanuel, Duchowicz, Pablo R., Ortiz, Erlinda V., Castro, Eduardo A.

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The quantitative structure–insecticidal activity relationships from plant derived compounds against chikungunya and zika Aedes aegypti (Diptera:Culicidae) vector von Saavedra, Laura M., Romanelli, Gustavo P., Rozo, Ciro E., Duchowicz, Pablo R.

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