330 citations · 2.7k across the 74 of their papers we have counts for
Showing cs.CEShow all
2 papers · 1 filter
cs.CE2024★ 7 cited
Projecting Molecules into Synthesizable Chemical Spaces
Shitong Luo, Wenhao Gao, Zuofan Wu +3
Discovering new drug molecules is a pivotal yet challenging process due to the near-infinitely large chemical space and notorious demands on time and resources. Numerous generative…
cs.CE2022★ 58 cited
Sample Efficiency Matters: A Benchmark for Practical Molecular Optimization
Wenhao Gao, Tianfan Fu, Jimeng Sun +1
Molecular optimization is a fundamental goal in the chemical sciences and is of central interest to drug and material design. In recent years, significant progress has been made in…