Jeff Guo

According to our database, Jeff Guo authored at least 10 papers between 2009 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

Machine learning-aided generative molecular design.

Yuanqi Du, Arian R. Jamasb, Jeff Guo, Tianfan Fu, Charles Harris, Yingheng Wang, Chenru Duan, Pietro Liò, Philippe Schwaller, Tom L. Blundell

Nat. Mac. Intell., 2024

It Takes Two to Tango: Directly Optimizing for Constrained Synthesizability in Generative Molecular Design.

Jeff Guo, Philippe Schwaller

CoRR, 2024

Saturn: Sample-efficient Generative Molecular Design using Memory Manipulation.

Jeff Guo, Philippe Schwaller

CoRR, 2024

Beam Enumeration: Probabilistic Explainability For Sample Efficient Self-conditioned Molecular Design.

Jeff Guo, Philippe Schwaller

Proceedings of the Twelfth International Conference on Learning Representations, 2024

2023

Augmented Memory: Capitalizing on Experience Replay to Accelerate De Novo Molecular Design.

Jeff Guo, Philippe Schwaller

CoRR, 2023

2022

Icolos: a workflow manager for structure-based post-processing of <i>de novo</i> generated small molecules.

J. Harry Moore, Matthias R. Bauer, Jeff Guo, Atanas Patronov, Ola Engkvist, Christian Margreitter

Bioinform., October, 2022

Author Correction: Improving de novo molecular design with curriculum learning.

Jeff Guo, Vendy Fialková, Juan Diego Arango, Christian Margreitter, Jon Paul Janet, Kostas Papadopoulos, Ola Engkvist, Atanas Patronov

Nat. Mach. Intell., 2022

Improving de novo molecular design with curriculum learning.

Jeff Guo, Vendy Fialková, Juan Diego Arango, Christian Margreitter, Jon Paul Janet, Kostas Papadopoulos, Ola Engkvist, Atanas Patronov

Nat. Mach. Intell., 2022

2021

DockStream: a docking wrapper to enhance de novo molecular design.

Jeff Guo, Jon Paul Janet, Matthias R. Bauer, Eva Nittinger, Kathryn A. Giblin, Kostas Papadopoulos, Alexey Voronov, Atanas Patronov, Ola Engkvist, Christian Margreitter

J. Cheminformatics, 2021

2009

Dimensionality reduction for knowledge discovery in medical claims database: Application to antidepressant medication utilization study.

Samuel H. Huang, Lawson R. Wulsin, Hua Li, Jeff Guo

Comput. Methods Programs Biomed., 2009