Publications by authors named "Y G Shee"

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FragmentRetro: A Quadratic Retrosynthetic Method Based on Fragmentation Algorithms.
Yu Shee, Anthony M Smaldone, Anton Morgunov, Gregory W Kyro, Victor S Batista

J Chem Theory Comput· January 2026

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EvolvedComplexity as a Total Synthesis Assessment Metric: Strychnine as a Case Study of Scoring Functions.
Abbigayle E Cuomo, John-Paul Webster, H Ray Kelly, Sumon Sarkar, Yu Shee

J Org Chem· October 2025

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Correction to "A Hybrid Transformer Architecture with a Quantized Self-Attention Mechanism Applied to Molecular Generation".
Anthony M Smaldone, Yu Shee, Gregory W Kyro, Marwa H Farag, Zohim Chandani

J Chem Theory Comput· August 2025

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Quantum Machine Learning in Drug Discovery: Applications in Academia and Pharmaceutical Industries.
Anthony M Smaldone, Yu Shee, Gregory W Kyro, Chuzhi Xu, Nam P Vu

Chem Rev· June 2025

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A Hybrid Transformer Architecture with a Quantized Self-Attention Mechanism Applied to Molecular Generation.
Anthony M Smaldone, Yu Shee, Gregory W Kyro, Marwa H Farag, Zohim Chandani

J Chem Theory Comput· May 2025

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