MICHIELAN, LISA
MICHIELAN, LISA
Advance Methodologies in Linear and Nonlinear Quantitative Structure-Activity Relationships (QSARs): from Drug Design to In Silico Toxicology Applications
2010 Michielan, Lisa
Combining selectivity and affinity predictions using an integrated support vector machine (SVM) approach: a novel tool to discriminate between the human adenosine A(2A) and A(3) receptor pyrazolo-triazolo-pyrimidine antagonists binding sites
2010 Michielan, Lisa; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, Magdalena; Klotz, Kn; Kachler, S; Pastorin, G; Sperduti, Alessandro; Spalluto, G; Moro, Stefano
Combining selectivity and affinity predictions using an integrated Support Vector Machine (SVM) approach: An alternative tool to discriminate between the human adenosine A(2A) and A(3) receptor pyrazolo-triazolo-pyrimidine antagonists binding sites
2009 Michielan, Lisa; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, Magdalena; KLOTZ K., N; Kachler, S; Pastorin, G; Cardin, R; Sperduti, Alessandro; Spalluto, G; Moro, Stefano
Comparison of Multilabel and Single-Label Classification Applied to the Prediction of the Isoform Specificity of Cytochrome P450 Substrates
2009 Michielan, Lisa; Terfloth, L; Gasteiger, J; Moro, Stefano
Exploring Potency and Selectivity Receptor Antagonist Profiles Using a Multilabel Classification Approach: The Human Adenosine Receptors as a Key Study
2009 Michielan, Lisa; Stephanie, F; Terfloth, L; Hristozov, D; Cacciari, B; Klotz, Kn; Spalluto, G; Gasteiger, J; Moro, Stefano
Linear and nonlinear 3D-QSAR approaches in tandem with ligand-based homology modeling as a computational strategy to depict the pyrazolo-triazolo-pyrimidine antagonists binding site of the human adenosine A(2A) receptor
2008 Michielan, Lisa; Bacilieri, Magdalena; Schiesaro, A; Bolcato, C; Pastorin, G; Spalluto, G; Cacciari, B; Klotz, Kn; Kaseda, C; Moro, Stefano
Pharmaceutical Perspectives of Nonlinear QSAR Strategies
2010 Michielan, Lisa; Moro, Stefano
Prediction of the acqueous solvation free energy of organic compounds by using autocorrelation of molecular electrostatic potential surface properties combined with response surface analysis
2008 Michielan, Lisa; Bacilieri, Magdalena; Kaseda, C; Moro, Stefano
Support Vector Machine (SVM) as Alternative Tool to Assign Acute Aquatic Toxicity Warning Labels to Chemicals
2010 Michielan, Lisa; Pireddu, L; Floris, M; Moro, Stefano