Title :
Classification of pharmaceutical toxicity by feature analysis
Author :
Quinn, John ; Loo, Lit Hsin ; Armitage, James ; Cordingley, Hayley ; Roberts, Samuel ; Bugelski, Peter J. ; Kam, Moshe ; Hrebien, Leonid
Author_Institution :
Drexel Univ., Philadelphia, PA, USA
Abstract :
The drug discovery process is far from optimal; only 1 in 10 compounds selected for development successfully reach the clinical trial phase. In an attempt to improve the efficiency of this process, we have applied feature analysis techniques to polypeptide spectral data from the liver of rats that have been exposed to various dosages of pharmaceuticals. Our goal is to use these techniques to predict the toxicity of a compound in vivo and help eliminate potentially dangerous pharmaceuticals from advancing past early stages of discovery
Keywords :
biochemistry; feature extraction; interpolation; liver; mass spectroscopic chemical analysis; medical expert systems; pattern classification; pharmaceutical industry; polynomial approximation; spectroscopy computing; splines (mathematics); time of flight mass spectra; SELDI-TOF-MS; cubic spline curve; drug discovery process; expert system algorithm; feature analysis; hepatotoxicants; in vivo toxicity; interpolation; mass to charge ratio; parsing; pharmaceutical toxicity classification; polynomial fit; polypeptide pattern; polypeptide spectral data; rat liver; Animals; Clinical trials; Drugs; In vivo; Liver; Measurement standards; Pharmaceuticals; Proteins; Rats; Vehicles;
Conference_Titel :
Bioengineering Conference, 2002. Proceedings of the IEEE 28th Annual Northeast
Conference_Location :
Philadelphia, PA
Print_ISBN :
0-7803-7419-3
DOI :
10.1109/NEBC.2002.999540
