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Journal of the American Chemical Society
|
December 22, 2017
Intermolecular Anti-Markovnikov Hydroamination of Unactivated Alkenes with Sulfonamides Enabled by Proton-Coupled Electron Transfer
Qilei Zhu, David E Graff, Robert R Knowles
Chemical Science
|
June 25, 2021
Accelerating high-throughput virtual screening through molecular pool-based active learning
David E Graff, Eugene I Shakhnovich, Connor W Coley
Journal of the American Chemical Society
|
March 18, 2020
Enantioselective Hydroamination of Alkenes with Sulfonamides Enabled by Proton-Coupled Electron Transfer
Casey B Roos, Joachim Demaerel, David E Graff, et al.
ACS Central Science
|
April 28, 2025
Challenging Reaction Prediction Models to Generalize to Novel Chemistry
John Bradshaw, Anji Zhang, Babak Mahjour, et al.
Journal of Chemical Information and Modeling
|
August 8, 2022
Self-Focusing Virtual Screening with Active Design Space Pruning
David E Graff, Matteo Aldeghi, Joseph A Morrone, et al.
Journal of Chemical Information and Modeling
|
September 16, 2022
Roughness of Molecular Property Landscapes and Its Impact on Modellability
Matteo Aldeghi, David E Graff, Nathan Frey, et al.
Journal of Chemical Information and Modeling
|
December 26, 2023
Chemprop: A Machine Learning Package for Chemical Property Prediction
Esther Heid, Kevin P Greenman, Yunsie Chung, et al.
Journal of Chemical Information and Modeling
|
December 26, 2025
Chemprop v2: An Efficient, Modular Machine Learning Package for Chemical Property Prediction
David E Graff, Nathan K Morgan, Jackson W Burns, et al.
Biorxiv : the Preprint Server for Biology
|
February 20, 2025
Identification of Antituberculars with Favorable Potency and Pharmacokinetics through Structure-Based and Ligand-Based Modeling
Vedang Warapande, Fanwang Meng, Alexandra Bozan, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Journal of the American Chemical Society
|
December 22, 2017
Intermolecular Anti-Markovnikov Hydroamination of Unactivated Alkenes with Sulfonamides Enabled by Proton-Coupled Electron Transfer
Qilei Zhu, David E Graff, Robert R Knowles
Chemical Science
|
June 25, 2021
Accelerating high-throughput virtual screening through molecular pool-based active learning
David E Graff, Eugene I Shakhnovich, Connor W Coley
Journal of the American Chemical Society
|
March 18, 2020
Enantioselective Hydroamination of Alkenes with Sulfonamides Enabled by Proton-Coupled Electron Transfer
Casey B Roos, Joachim Demaerel, David E Graff, et al.
ACS Central Science
|
April 28, 2025
Challenging Reaction Prediction Models to Generalize to Novel Chemistry
John Bradshaw, Anji Zhang, Babak Mahjour, et al.
Journal of Chemical Information and Modeling
|
August 8, 2022
Self-Focusing Virtual Screening with Active Design Space Pruning
David E Graff, Matteo Aldeghi, Joseph A Morrone, et al.
Journal of Chemical Information and Modeling
|
September 16, 2022
Roughness of Molecular Property Landscapes and Its Impact on Modellability
Matteo Aldeghi, David E Graff, Nathan Frey, et al.
Journal of Chemical Information and Modeling
|
December 26, 2023
Chemprop: A Machine Learning Package for Chemical Property Prediction
Esther Heid, Kevin P Greenman, Yunsie Chung, et al.
Journal of Chemical Information and Modeling
|
December 26, 2025
Chemprop v2: An Efficient, Modular Machine Learning Package for Chemical Property Prediction
David E Graff, Nathan K Morgan, Jackson W Burns, et al.
Biorxiv : the Preprint Server for Biology
|
February 20, 2025
Identification of Antituberculars with Favorable Potency and Pharmacokinetics through Structure-Based and Ligand-Based Modeling
Vedang Warapande, Fanwang Meng, Alexandra Bozan, et al.
Page
of 1