ScaffoldGVAE: scaffold generation and hopping of drug molecules via a variational autoencoder based on multi-view graph neural networks

Table 1 The data set the information of the five kinase proteins

Target protein	PDB ID	Uniprot ID	Number of data pairs
CDK2	1H00	P24941	1200
EGFR	2RGP	P00533	10,533
JAK1	6PTE	P23458	4860
LRRK2	7BJD	Q5S007	2436
PIM1	3UMW	P11309	3682

ISSN: 1758-2946