Gregory W Kyro
12PUBLICATIONS
18CO-AUTHORS
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Publications (12)
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|Jan 06, 2026
FragmentRetro: A Quadratic Retrosynthetic Method Based on Fragmentation Algorithms.Yu Shee, Anthony M Smaldone, Anton Morgunov
|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
|Feb 18, 2025
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
|Jan 30, 2024
ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation.Gregory W Kyro, Anton Morgunov, Rafael I Brent
|Jan 04, 2024
The landscape of computational approaches for artificial photosynthesis.Ke R Yang, Gregory W Kyro, Victor S Batista
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Frequent Collaborators
12 joint publications
Victor S Batista
5 joint publications
Yu Shee
5 joint publications
Anthony M Smaldone
2 joint publications
Federica Maschietto
2 joint publications
Brandon Allen
2 joint publications
Anton Morgunov
2 joint publications
Rafael I Brent
2 joint publications
Aria Gheeraert
2 joint publications
J Patrick Loria
2 joint publications
Ivan Rivalta
