Publications by authors named "Yu Shee"

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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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DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis.
Yu Shee, Anton Morgunov, Haote Li, Victor S Batista

J Chem Inf Model· April 2025

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T-ALPHA: A Hierarchical Transformer-Based Deep Neural Network for Protein-Ligand Binding Affinity Prediction with Uncertainty-Aware Self-Learning for Protein-Specific Alignment.
Gregory W Kyro, Anthony M Smaldone, Yu Shee, Chuzhi Xu, Victor S Batista

J Chem Inf Model· March 2025

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Site-specific template generative approach for retrosynthetic planning.
Yu Shee, Haote Li, Pengpeng Zhang, Andrea M Nikolic, Wenxin Lu

Nat Commun· September 2024

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Kernel-elastic autoencoder for molecular design.
Haote Li, Yu Shee, Brandon Allen, Federica Maschietto, Anton Morgunov

PNAS Nexus· April 2024

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Photonic crystal fiber-based surface plasmon resonance sensor with selective analyte channels and graphene-silver deposited core.
Ahmmed A Rifat, G Amouzad Mahdiraji, Desmond M Chow, Yu Gang Shee, Rajib Ahmed

Sensors (Basel)· May 2015

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Double Brillouin frequency shift through circulation of odd-order Stokes signal.
Yu Gang Shee, Mohammed Hayder Al-Mansoori, Alyani Ismail, Salasiah Hitam, Mohd Adzir Mahdi

Appl Opt· July 2010

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