Breaking the hierarchy - a new cluster selection mechanism for hierarchical clustering methods. - László A. Zahoránszky; Gyula Y. Katona; Péter Hári; András Málnási-Csizmadia; Katharina Anna Zweig; Gergely Zahoránszky-Köhalmi (Algorithms Mol. Biol., 2009)

Drug Effect Prediction by Polypharmacology-Based Interaction Profiling. - Zoltán Simon; Ágnes Peragovics; Margit Vigh-Smeller; Gábor Csukly; László Tombor; Zhenhui Yang; Gergely Zahoránszky-Köhalmi; László Végner; Balázs Jelinek; Péter Hári; Csaba Hetényi; István Bitter; et al. (J. Chem. Inf. Model., 2012)

The CARLSBAD Database: A Confederated Database of Chemical Bioactivities. - Stephen L. Mathias; Jarrett Hines-Kay; Jeremy J. Yang; Gergely Zahoránszky-Köhalmi; Cristian Bologa; Oleg Ursu; Tudor I. Oprea (Database J. Biol. Databases Curation, 2013)

Impact of similarity threshold on the topology of molecular similarity networks and clustering outcomes. - Gergely Zahoránszky-Köhalmi; Cristian Bologa; Oleg Ursu; Tudor I. Oprea (J. Cheminformatics, 2016)

Erratum to: Impact of similarity threshold on the topology of molecular similarity networks and clustering outcomes. - Gergely Zahoránszky-Köhalmi; Cristian Bologa; Oleg Ursu; Tudor I. Oprea (J. Cheminformatics, 2016)

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

SmartGraph: a network pharmacology investigation platform. - Gergely Zahoránszky-Köhalmi; Timothy Sheils; Tudor I. Oprea (J. Cheminformatics, 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)