A Perspective on Innovating the Chemistry Lab Bench. - Alexander G. Godfrey; Samuel G. Michael; Gurusingham Sitta Sittampalam; Gergely Zahoránszky-Köhalmi (Frontiers Robotics AI, 2020)

A Workflow of Integrated Resources to Catalyze Network Pharmacology Driven COVID-19 Research. - Gergely Zahoránszky-Köhalmi; Vishal B. Siramshetty; Praveen Kumar; Manideep Gurumurthy; Busola Grillo; Biju Mathew; Dimitrios Metaxatos; Mark Backus; Tim Mierzwa; Reid Simon; Ivan Grishagin; Laura Brovold; et al. (J. Chem. Inf. Model., 2022)

Algorithm for the Pruning of Synthesis Graphs. - Gergely Zahoránszky-Köhalmi; Nikita Lysov; Ilia Vorontcov; Jeffrey Wang; Jeyaraman Soundararajan; Dimitrios Metaxotos; Biju Mathew; Rafat Sarosh; Samuel G. Michael; Alexander G. Godfrey (J. Chem. Inf. Model., 2022)

SmartGraph API: Programmatic Knowledge Mining in Network-Pharmacology Setting. - Gergely Zahoránszky-Köhalmi; Brandon Walker; Nathan Miller; Brett Yang; Dhatri V. L. Penna; Jessica Maine; Timothy Sheils; Ke Wang; Jennifer King; Hythem Sidky; Sridhar Vuyyuru; Jeyaraman Soundarajan; et al. (J. Chem. Inf. Model., 2024)

Hilbert-curve assisted structure embedding method. - Gergely Zahoránszky-Köhalmi; Kanny K. Wan; Alexander G. Godfrey (J. Cheminformatics, 2024)

State and Memory is All You Need for Robust and Reliable AI Agents. - Matthew Muhoberac; Atharva Parikh; Nirvi Vakharia; Saniya Virani; Aco Radujevic; Savannah Wood; Meghav Verma; Dimitrios Metaxotos; Jeyaraman Soundararajan; Thierry Masquelin; Alexander G. Godfrey; Sean Gardner; et al. (CoRR, 2025)