A Deep Learning Based Scaffold Hopping Strategy for the Design of Kinase Inhibitors

24 May 2021, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


Scaffold hopping is a widely used strategy for drug design towards kinase inhibitors. In current study, we proposed a fragment-based deep learning strategy for scaffold hopping towards the conserved hinge binding motif of kinase inhibitors in a large scale.


Deep Learning
Molecular Generation
Scaffold Hopping
Kinase inhibitors
Fragment-based Drug Design


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