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Ion Mobility CCS for [M-H]- Ions

GNN

Graph-Convolutional Neural Net

Graph-convolutional neural net to predict CCS values [M-H]-

graph convolutional neural net to predict CCS values of organic [M-H]- ions, 2 hidden layer (16, 32 neurons)

Metlin CCS database

109,600 datapoints

Data augmentation strategy applied to increase the number of input features.

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