David E Graff
4PUBLICATIONS
15CO-AUTHORS
Get your video featured.
Publish with JoVEGet your video featured.
Publish with JoVE
Publications (4)
Sort by Publication Date:
|Dec 26, 2025
Chemprop v2: An Efficient, Modular Machine Learning Package for Chemical Property Prediction.David E Graff, Nathan K Morgan, Jackson W Burns
|Apr 28, 2025
Challenging Reaction Prediction Models to Generalize to Novel Chemistry.John Bradshaw, Anji Zhang, Babak Mahjour
|Dec 26, 2023
Chemprop: A Machine Learning Package for Chemical Property Prediction.Esther Heid, Kevin P Greenman, Yunsie Chung
|Jun 25, 2021
Accelerating high-throughput virtual screening through molecular pool-based active learning.David E Graff, Eugene I Shakhnovich, Connor W Coley
Pageof 1
Frequent Collaborators
3 joint publications
Connor W Coley
2 joint publications
Kevin P Greenman
2 joint publications
Haoyang Wu
2 joint publications
William H Green
1 joint publications
Esther Heid
1 joint publications
Yunsie Chung
1 joint publications
Charles J McGill
1 joint publications
Babak Mahjour
1 joint publications
Marwin H S Segler
1 joint publications
Nathan K Morgan
