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AAAI
1990
13 years 5 months ago
Obtaining Quantitative Predictions from Monotone Relationships
: Tasks such as forecasting, diagnosis, and planning frequently require quantitative predictions . Typically, quantitative predictions are obtained by characterizing a system in te...
Joseph L. Hellerstein
JCISD
2002
63views more  JCISD 2002»
13 years 4 months ago
Prediction of Ultraviolet Spectral Absorbance Using Quantitative Structure-Property Relationships
High performance liquid chromatography (HPLC) with ultraviolet (UV) spectrophotometric detection is a common method for analyzing reaction products in organic chemistry. This proc...
William L. Fitch, Malcolm McGregor, Alan R. Katrit...
BMCBI
2008
165views more  BMCBI 2008»
13 years 4 months ago
Peak intensity prediction in MALDI-TOF mass spectrometry: A machine learning study to support quantitative proteomics
Background: Mass spectrometry is a key technique in proteomics and can be used to analyze complex samples quickly. One key problem with the mass spectrometric analysis of peptides...
Wiebke Timm, Alexandra Scherbart, Sebastian Bö...
AAAI
2010
13 years 4 months ago
Fast Conditional Density Estimation for Quantitative Structure-Activity Relationships
Many methods for quantitative structure-activity relationships (QSARs) deliver point estimates only, without quantifying the uncertainty inherent in the prediction. One way to qua...
Fabian Buchwald, Tobias Girschick, Eibe Frank, Ste...
CIBCB
2009
IEEE
13 years 5 months ago
Application of machine learning approaches on quantitative structure activity relationships
Machine Learning techniques are successfully applied to establish quantitative relations between chemical structure and biological activity (QSAR), i.e. classify compounds as activ...
Mariusz Butkiewicz, Ralf Mueller, Danilo Selic, Er...