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David E. Graff — most-cited papers & profile · AI for Science
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David E. Graff
3
papers ·
16
citations
Google Scholar ↗
Semantic Scholar ↗
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Most-cited papers
Challenging reaction prediction models to generalize to novel chemistry
2025 · 16 citations
Accelerating high-throughput virtual screening through molecular pool-based active learning
2020
Pareto Optimization to Accelerate Multi-Objective Virtual Screening
2023
Top co-authors
Connor W. Coley
· 2
Anji Zhang
· 1
Babak Mahjour
· 1
Connor W. Coley
· 1
Eugene I. Shakhnovich
· 1
Jenna C. Fromer
· 1
John Bradshaw
· 1
Marwin H.S. Segler
· 1
Topics
Chemistry
Drug Discovery
Protein Science