20 citations · 20 across the 1 of their papers we have counts for
2 papers
q-bio.QM2021★ 20 cited
Hit and Lead Discovery with Explorative RL and Fragment-based Molecule Generation
Soojung Yang, Doyeong Hwang, Seul Lee +2
Recently, utilizing reinforcement learning (RL) to generate molecules with desired properties has been highlighted as a promising strategy for drug design. A molecular docking prog…
cs.LG2020
A comprehensive study on the prediction reliability of graph neural networks for virtual screening
Soojung Yang, Kyung Hoon Lee, Seongok Ryu
Prediction models based on deep neural networks are increasingly gaining attention for fast and accurate virtual screening systems. For decision makings in virtual screening, resea…