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Molecular descriptors
6
"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
"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
"Different encoding alternatives for the prediction of halogenated polymers glass transition temperature by quantitative structure–property relationships" (2017) Mercader, A.G.; Bacelo, D.E.; Duchowicz, P.R. International Journal of Polymer Analysis and Characterization. 22(7):639-648
"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
"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
"Predictive modeling of the total deactivation rate constant of singlet oxygen by heterocyclic compounds" (2009) Mercader, A.G.;Duchowicz, P.R.;Fernández, F.M. (...)Thomas, A.H. Journal of Molecular Graphics and Modelling. 28(1):12-19