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"Hit and Lead Discovery with Explorative RL and Fragment-based Molecule ..."
Soojung Yang et al. (2021)
- Soojung Yang, Doyeong Hwang, Seul Lee, Seongok Ryu, Sung Ju Hwang:
Hit and Lead Discovery with Explorative RL and Fragment-based Molecule Generation. NeurIPS 2021: 7924-7936
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