Publications by authors named "Lisa Michielan"

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Pharmaceutical perspectives of nonlinear QSAR strategies.
Lisa Michielan, Stefano Moro

J Chem Inf Model· June 2010

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Support Vector Machine (SVM) as Alternative Tool to Assign Acute Aquatic Toxicity Warning Labels to Chemicals.
Lisa Michielan, Luca Pireddu, Matteo Floris, Stefano Moro

Mol Inform· January 2010

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Exploring potency and selectivity receptor antagonist profiles using a multilabel classification approach: the human adenosine receptors as a key study.
Lisa Michielan, Federico Stephanie, Lothar Terfloth, Dimitar Hristozov, Barbara Cacciari

J Chem Inf Model· December 2009

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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, Stefano Moro

J Chem Inf Model· November 2009

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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.
Lisa Michielan, Chiara Bolcato, Stephanie Federico, Barbara Cacciari, Magdalena Bacilieri

Bioorg Med Chem· July 2009

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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, Stefano Moro

Bioorg Med Chem· May 2008

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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 A2A receptor.
Lisa Michielan, Magdalena Bacilieri, Andrea Schiesaro, Chiara Bolcato, Giorgia Pastorin

J Chem Inf Model· February 2008

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