Improved Small Molecule Identification through Learning Combinations of Kernel Regression Models
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DOI: 10.3390/metabo9080160
Abstract: In small molecule identification from tandem mass (MS/MS) spectra, input–output kernel regression (IOKR) currently provides the state-of-the-art combination of fast training and prediction and high identification rates. The IOKR approach can be simply understood as… read more here.
Keywords: molecule; kernel regression; molecule identification; small molecule ... See more keywords