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Fig. 2 | Journal of Cheminformatics

Fig. 2

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

Fig. 2

The success rate of the best 10% molecules evaluated by GraphDTA and LeDock represented as a swarm plot. Swarm plot of success rate evaluated by GraphDTA for 20 reference compounds among the target of A CDK2; C EGFR; E JAK1; G LRRK2; I PIM1. Swarm plot of success rate evaluated by LeDock for 20 reference compounds among the target of B CDK2; D EGFR; F JAK1; H LRRK2; J PIM1. The points denote the success rate of generated molecules, and the gray bars are the average success rate for 20 reference compounds

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Journal of Cheminformatics

ISSN: 1758-2946

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