Lisa Michielan

Comparison of Multilabel and Single-Label Classification Applied to the Prediction of the Isoform Specificity of Cytochrome P450 Substrates

Lisa Michielan, Lothar Terfloth, Johann Gasteiger et al. · Journal of Chemical Information and Modeling · 2009 · 49 citations

Prediction of the aqueous solvation free energy of organic compounds by using autocorrelation of molecular electrostatic potential surface properties combined with response surface analysis

Lisa Michielan, Magdalena Bacilieri, Chosei Kaseda et al. · Bioorganic & Medicinal Chemistry · 2008 · 34 citations

Organic Compounds, Response Surface Analysis, Engineering +8

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

Lisa Michielan, Magdalena Bacilieri, Andrea Schiesaro et al. · Journal of Chemical Information and Modeling · 2008 · 30 citations

Lbhm Strategies, Drug Target, Engineering +15

Combining selectivity and affinity predictions using an integrated Support Vector Machine (SVM) approach: An alternative tool to discriminate between the human adenosine A2A and A3 receptor pyrazolo-triazolo-pyrimidine antagonists binding sites

Lisa Michielan, Chiara Bolcato, Stephanie Federico et al. · Bioorganic & Medicinal Chemistry · 2009 · 25 citations · Full text

Medicinal Chemistry, Affinity Predictions, Drug Target +11

Exploring Potency and Selectivity Receptor Antagonist Profiles Using a Multilabel Classification Approach: The Human Adenosine Receptors as a Key Study

Lisa Michielan, Stephanie Federico, Lothar Terfloth et al. · Journal of Chemical Information and Modeling · 2009 · 20 citations

Drug Target, Pharmacotherapy, System Pharmacology +17