58 citations · 114 across the 6 of their papers we have counts for
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q-bio.QM2022★ 28 cited
Reinforced Genetic Algorithm for Structure-based Drug Design
Tianfan Fu, Wenhao Gao, Connor W. Coley +1
Structure-based drug design (SBDD) aims to discover drug candidates by finding molecules (ligands) that bind tightly to a disease-related protein (targets), which is the primary ap…
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…