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2020 – today
- 2024
[j6]Yuanqi Du, Arian R. Jamasb
, Jeff Guo, Tianfan Fu, Charles Harris, Yingheng Wang, Chenru Duan, Pietro Liò, Philippe Schwaller, Tom L. Blundell:
Machine learning-aided generative molecular design. Nat. Mac. Intell. 6(6): 589-604 (2024)- [c1]Jeff Guo, Philippe Schwaller:
Beam Enumeration: Probabilistic Explainability For Sample Efficient Self-conditioned Molecular Design. ICLR 2024 - [i5]Jeff Guo, Philippe Schwaller:
Saturn: Sample-efficient Generative Molecular Design using Memory Manipulation. CoRR abs/2405.17066 (2024) - [i4]Jeff Guo, Philippe Schwaller:
It Takes Two to Tango: Directly Optimizing for Constrained Synthesizability in Generative Molecular Design. CoRR abs/2410.11527 (2024) - [i3]Daniel Armstrong, Zlatko Joncev, Jeff Guo, Philippe Schwaller:
Tango*: Constrained synthesis planning using chemically informed value functions. CoRR abs/2412.03424 (2024) - 2023
- [i2]Jeff Guo, Philippe Schwaller:
Augmented Memory: Capitalizing on Experience Replay to Accelerate De Novo Molecular Design. CoRR abs/2305.16160 (2023) - [i1]Jeff Guo, Philippe Schwaller:
Beam Enumeration: Probabilistic Explainability For Sample Efficient Self-conditioned Molecular Design. CoRR abs/2309.13957 (2023) - 2022
- [j5]J. Harry Moore, Matthias R. Bauer, Jeff Guo, Atanas Patronov, Ola Engkvist, Christian Margreitter:
Icolos: a workflow manager for structure-based post-processing of de novo generated small molecules. Bioinform. 38(21): 4951-4952 (2022) - [j4]Jeff Guo, Vendy Fialková, Juan Diego Arango, Christian Margreitter, Jon Paul Janet, Kostas Papadopoulos, Ola Engkvist, Atanas Patronov:
Improving de novo molecular design with curriculum learning. Nat. Mach. Intell. 4(6): 555-563 (2022) - [j3]Jeff Guo, Vendy Fialková, Juan Diego Arango, Christian Margreitter, Jon Paul Janet, Kostas Papadopoulos, Ola Engkvist, Atanas Patronov:
Author Correction: Improving de novo molecular design with curriculum learning. Nat. Mach. Intell. 4(8): 731 (2022) - 2021
- [j2]Jeff Guo, Jon Paul Janet, Matthias R. Bauer, Eva Nittinger, Kathryn A. Giblin, Kostas Papadopoulos, Alexey Voronov, Atanas Patronov, Ola Engkvist, Christian Margreitter:
DockStream: a docking wrapper to enhance de novo molecular design. J. Cheminformatics 13(1): 89 (2021)
2000 – 2009
- 2009
- [j1]Samuel H. Huang, Lawson R. Wulsin, Hua Li, Jeff Guo:
Dimensionality reduction for knowledge discovery in medical claims database: Application to antidepressant medication utilization study. Comput. Methods Programs Biomed. 93(2): 115-123 (2009)
Coauthor Index
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