PAULYIon mobility CCS for [M+H]+ Ions
GNNGraph-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 (32, 32 neurons)
METLIN CCS database
134,800 datapoints
Data augmentation strategy applied to increase the number of input features.