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)

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)

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)

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)

Icolos: a workflow manager for structure-based post-processing of de novo generated small molecules. - J. Harry Moore; Matthias R. Bauer; Jeff Guo; Atanas Patronov; Ola Engkvist; Christian Margreitter (Bioinform., 2022)

Augmented Memory: Capitalizing on Experience Replay to Accelerate De Novo Molecular Design. - Jeff Guo; Philippe Schwaller (CoRR, 2023)

Beam Enumeration: Probabilistic Explainability For Sample Efficient Self-conditioned Molecular Design. - Jeff Guo; Philippe Schwaller (ICLR, 2024)

Saturn: Sample-efficient Generative Molecular Design using Memory Manipulation. - Jeff Guo; Philippe Schwaller (CoRR, 2024)

It Takes Two to Tango: Directly Optimizing for Constrained Synthesizability in Generative Molecular Design. - Jeff Guo; Philippe Schwaller (CoRR, 2024)

Tango*: Constrained synthesis planning using chemically informed value functions. - Daniel P. Armstrong; Zlatko Joncev; Jeff Guo; Philippe Schwaller (CoRR, 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)

LLM-Augmented Chemical Synthesis and Design Decision Programs. - Haorui Wang; Jeff Guo; Lingkai Kong; Rampi Ramprasad; Philippe Schwaller; Yuanqi Du; Chao Zhang 014 (CoRR, 2025)

Generative Molecular Design with Steerable and Granular Synthesizability Control. - Jeff Guo; Victor Sabanza Gil; Zlatko Joncev; Jeremy S. Luterbacher; Philippe Schwaller (CoRR, 2025)