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1.
Comparison of multilabel and single-label classification applied to the prediction of the isoform specificity of cytochrome p450 substrates.
J Chem Inf Model
; 49(11): 2588-605, 2009 Nov.
Artículo
en Inglés
| MEDLINE | ID: mdl-19883102
2.
Exploring potency and selectivity receptor antagonist profiles using a multilabel classification approach: the human adenosine receptors as a key study.
J Chem Inf Model
; 49(12): 2820-36, 2009 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-19908874
3.
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.
Bioorg Med Chem
; 17(14): 5259-74, 2009 Jul 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-19501513
4.
Prediction of the aqueous solvation free energy of organic compounds by using autocorrelation of molecular electrostatic potential surface properties combined with response surface analysis.
Bioorg Med Chem
; 16(10): 5733-42, 2008 May 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-18406153
5.
Pharmaceutical perspectives of nonlinear QSAR strategies.
J Chem Inf Model
; 50(6): 961-78, 2010 Jun 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-20527756
6.
Support Vector Machine (SVM) as Alternative Tool to Assign Acute Aquatic Toxicity Warning Labels to Chemicals.
Mol Inform
; 29(1-2): 51-64, 2010 Jan 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-27463848
7.
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.
J Chem Inf Model
; 48(2): 350-63, 2008 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-18215030
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