Yu Shee

9PUBLICATIONS
18CO-AUTHORS
Chemical and thermal processes in energy and combustionComputational chemistryBiomolecular modelling and designEvolutionary computationProcess control and simulation
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Publications (9)

|Jan 06, 2026
FragmentRetro: A Quadratic Retrosynthetic Method Based on Fragmentation Algorithms.

Yu Shee, Anthony M Smaldone, Anton Morgunov

|Oct 10, 2025
EvolvedComplexity as a Total Synthesis Assessment Metric: Strychnine as a Case Study of Scoring Functions.

Abbigayle E Cuomo, John-Paul Webster, H Ray Kelly

|Jun 06, 2025
Quantum Machine Learning in Drug Discovery: Applications in Academia and Pharmaceutical Industries.

Anthony M Smaldone, Yu Shee, Gregory W Kyro

|May 07, 2025
A Hybrid Transformer Architecture with a Quantized Self-Attention Mechanism Applied to Molecular Generation.

Anthony M Smaldone, Yu Shee, Gregory W Kyro

|Apr 08, 2025
DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis.

Yu Shee, Anton Morgunov, Haote Li

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