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Data do documentoTítuloAutor(es)
Jun-2010Prediction of the Hildebrand parameter of various solvents using linear and nonlinear approachesGoodarzi, Mohammad; Duchowicz, Pablo R.; Freitas, Matheus P.; Fernández, Francisco M.
2010Description of the acid/base behavior of organic phosphines using ab initio and chemometric approachesSantiago, Regis T.; La Porta, Felipe A.; Rocha, Marcus V. J.; Ramalho, Teodorico C.; Freitas, Matheus P.; Cunha, Elaine F. F. da
Jul-2010The case of infrared carbonyl stretching intensities of 2-bromocyclohexanone: conformational and intermolecular interaction insightsCoelho, Jakelyne V.; Freitas, Matheus P.; Ramalho, Teodorico C.; Martins, Carina R.; Bitencourt, Michelle; Cormani, Rodrigo A.; Tormena, Cláudio F.; Rittner, Roberto
Set-2010The role of the Frontier orbitals in acid–base chemistry of organic amines probed by ab initio and chemometric techniquesLa Porta, Felipe A.; Santiago, Regis T.; Ramalho, Teodorico C.; Freitas, Matheus P.; Cunha, Elaine F. F. da
Dez-2010QSPR predictions of heat of fusion of organic compounds using bayesian regularized artificial neural networksGoodarzi, Mohammad; Chen, Tao; Freitas, Matheus P.
Abr-2010MIA-QSAR coupled to principal component analysis-adaptive neuro-fuzzy inference systems (PCA-ANFIS) for the modeling of the anti-HIV reverse transcriptase activities of TIBO derivativesGoodarzi, Mohammad; Freitas, Matheus P.
Fev-2010Orbital interactions in 2-Halocyclohexanones as analyzed by means of theoretical calculationsCoelho, Jakelyne V.; Freitas, Matheus P.
Nov-2010PLS and N-PLS-based MIA-QSTR modeling of the acute toxicities of phenylsulfonyl carboxylates to Vibrio fischeriGoodarzi, Mohammad; Freitas, Matheus P.
Abr-2010pKa modeling and prediction of a series of pH indicators through genetic algorithm-least square support vector regressionGoodarzi, Mohammad; Freitas, Matheus P.; Wu, Chih H.; Duchowicz, Pablo R.
Out-2010MIA-QSAR, PC-Ranking and least-squares support-vector machines in the accurate prediction of the activities of Phosphodiesterase Type 5 (PDE-5) inhibitorsGoodarzi, Mohammad; Freitas, Matheus P.