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Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data.
Jim Boelrijk
Denice van Herwerden
Bernd Ensing
Patrick Forré
Saer Samanipour
Published in:
J. Cheminformatics (2023)
Keyphrases
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mass spectrometry data
pattern classification
high throughput
mass spectrometry
cancer classification
data sets
data mining
low cost
microarray