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quantitative structure activity relation
9
"Conformation-independent quantitative structure-property relationships study on water solubility of pesticides" (2019) Fioressi, S.E.;Bacelo, D.E.;Rojas, C. (...)Duchowicz, P.R. Ecotoxicology and Environmental Safety. 171:47-53
"QSAR studies of indoyl aryl sulfides and sulfones as reverse transcriptase inhibitors" (2018) Duchowicz, P.R.;Bacelo, D.E.;Fioressi, S.E. (...)Romanelli, G.P. Medicinal Chemistry Research. 27(2):420-428
"Predicting the bioconcentration factor through a conformation-independent QSPR study" (2017) Aranda, J.F.;Bacelo, D.E.;Leguizamón Aparicio, M.S. (...)Duchowicz, P.R. SAR and QSAR in Environmental Research. 28(9):749-763
"The conformation-independent QSPR approach for predicting the oxidation rate constant of water micropollutants" (2017) Ortiz, E.V.;Bennardi, D.O.;Bacelo, D.E. (...)Duchowicz, P.R. Environmental Science and Pollution Research. 24(35):27366-27375
"Multivariate SAR and QSAR of cucurbitacin derivatives as cytotoxic compounds in a human lung adenocarcinoma cell line" (2014) Lang, K.L.;Silva, I.T.;Machado, V.R. (...)De Melo, E.B. Journal of Molecular Graphics and Modelling. 48:70-79
"QSAR on antiproliferative naphthoquinones based on a conformation- independent approach" (2014) Duchowicz, P.R.;Bennardi, D.O.;Bacelo, D.E. (...)Misico, R.I. European Journal of Medicinal Chemistry. 77:176-184
"Antiprotozoan lead discovery by aligning dry and wet screening: Prediction, synthesis, and biological assay of novel quinoxalinones" (2014) Martins Alho, M.A.;Marrero-Ponce, Y.;Barigye, S.J. (...)Arán, V.J. Bioorganic and Medicinal Chemistry. 22(5):1568-1585
"Discovery of novel trichomonacidals using LDA-driven QSAR models and bond-based bilinear indices as molecular descriptors" (2009) Rivera-Barroto, O.M.;Marrero-Ponce, Y.;Meneses-Marcel, A. (...)Vogel, C. QSAR and Combinatorial Science. 28(1):9-26
"Pharmacophore model for antiepileptic drugs acting on sodium channels" (2001) Tasso, S.M.; Bruno-Blanch, L.E.; Estiú, G.L. Journal of Molecular Modeling. 7(7):231-239