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4 results in Authors: Gergely Zahoranszky-Kohalmi

Theoretical and Computational Chemistry

Hilbert-Curve Assisted Structure Embedding Method

Gergely Zahoranszky-Kohalmi, Kanny K. Wan, Alexander G. Godfrey

Version 1 posted 28 February 2020

787

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Theoretical and Computational Chemistry

Path Toward High-Throughput Synthesis Planning via Performance Benchmarking

Brandon Walker, Nathan Miller, Brett Yang, Dhatri V. L. Penna, Sridhar Vuyyuru, Jeyaraman Soundararajan, Ilia Vorontcov, Andrew Girvin, Amin Mannaa, Maya Choudhury, Hailey Fox, Mihir Bafna, Eduardo Luiggi Lopez, Hugo Hernandez, Jennifer King, Thierry Masquelin, Samuel G. Michael, Alexander G. Godfrey, Gergely Zahoránszky-Kőhalmi

Version 1 posted 12 August 2024

327

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Theoretical and Computational Chemistry

SmartGraph API: Programmatic Knowledge Mining in Network- Pharmacology Setting

Gergely Zahoránszky-Kőhalmi, Brandon Walker, Nathan Miller, Brett Yang, Dhatri V. L. Penna, Jessica Binder, Timothy Sheils, Ke Wang, Jennifer King, Hythem Sidky, Sridhar Vuyyuru, Jeyaraman Soundarajan, Samuel G. Michael, Alexander G. Godfrey, Tudor I. Oprea

Version 1 posted 17 January 2024

214

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Theoretical and Computational Chemistry

Synthesis Route Identification and Prioritization in Reaction Knowledge Graphs

Gergely Zahoránszky-Kőhalmi, Brandon Walker, William Cole, Nathan Miller, Brett Yang, Ilia Vorontcov, Dhatri V. L. Penna, Jeyaraman Soundararajan, Jennifer King, Hugo Hernandez, Eduardo L. Lopez, Sridhar Vuyyuru, Andrew Girvin, Hailey Fox, Amin Manna, Maya Chodhury, Joe Mirabal, Cynthia Femano, Carleen Klumpp-Thomas, Samuel G. Michael, Thierry Masquelin, Alexander G. Godfrey

Version 1 posted 06 June 2025

199

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