Suchergebnisse - "Michielan, Lisa"

PubPharm (12)

1

Pharmaceutical perspectives of nonlinear QSAR strategies

enthalten in: Journal of chemical information and modeling | 2010

von Michielan, L. | Moro, S.

2

ChemInform Abstract: Comparison of Nine Programs Predicting pKa Values of Pharmaceutical Substances.

enthalten in: ChemInform | 2010

von Michielan, L. | Stephanie, F. | Terfloth, L. | +6

3

Support Vector Machine (SVM) as Alternative Tool to Assign Acute Aquatic Toxicity Warning Labels to Chemicals

enthalten in: Molecular informatics | 2010

von Michielan, L. | Pireddu, L. | Floris, M. | +1

4

GPU Accelerated Support Vector Machines for Mining High-Throughput Screening Data

enthalten in: Journal of chemical information and modeling | 2009

von Michielan, L. | Stephanie, F. | Terfloth, L. | +6

5

Exploring potency and selectivity receptor antagonist profiles using a multilabel classification approach : the human adenosine receptors as a key study

enthalten in: Journal of chemical information and modeling | 2009

von Michielan, L. | Stephanie, F. | Terfloth, L. | +6

6

Comparison of multilabel and single-label classification applied to the prediction of the isoform specificity of cytochrome p450 substrates

enthalten in: Journal of chemical information and modeling | 2009

von Michielan, L. | Terfloth, L. | Gasteiger, J. | +1

7

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

enthalten in: Bioorganic & medicinal chemistry | 2009

von Michielan, L. | Bolcato, C. | Federico, S. | +9

8

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

enthalten in: Bioorganic & medicinal chemistry | 2009

von Michielan, L. | Bolcato, C. | Federico, S. | +9

9

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

enthalten in: Bioorganic & medicinal chemistry | 2008

von Michielan, L. | Bacilieri, M. | Kaseda, C. | +1

10

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

enthalten in: Journal of chemical information and modeling | 2008

von Michielan, L. | Bacilieri, M. | Schiesaro, A. | +7