Gregory W. Kyro

11 papers Journal 11

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	A Model-Centric Review of Deep Learning for Protein Design. CoRR Gregory W. Kyro, Tianyin Qiu, Victor S. Batista
2025	J	`jnl`	CardioGenAI: a machine learning-based framework for re-engineering drugs for reduced hERG liability. J. Cheminformatics Gregory W. Kyro, Matthew T. Martin, Eric D. Watt, Victor S. Batista
2025	J	`jnl`	FragmentRetro: A Quadratic Retrosynthetic Method Based on Fragmentation Algorithms. CoRR Yu Shee, Anthony M. Smaldone, Anton Morgunov, Gregory W. Kyro, Victor S. Batista
2025	J	`jnl`	T-ALPHA: A Hierarchical Transformer-Based Deep Neural Network for Protein-Ligand Binding Affinity Prediction with Uncertainty-Aware Self-Learning for Protein-Specific Alignment. J. Chem. Inf. Model. Gregory W. Kyro, Anthony M. Smaldone, Yu Shee, Chuzhi Xu, Victor S. Batista
2024	J	`jnl`	CardioGenAI: A Machine Learning-Based Framework for Re-Engineering Drugs for Reduced hERG Liability. CoRR Gregory W. Kyro, Matthew T. Martin, Eric D. Watt, Victor S. Batista
2024	J	`jnl`	ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation. J. Chem. Inf. Model. Gregory W. Kyro, Anton Morgunov, Rafael I. Brent, Victor S. Batista
2023	J	`jnl`	ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation. CoRR Gregory W. Kyro, Anton Morgunov, Rafael I. Brent, Victor S. Batista
2023	J	`jnl`	HAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein-Ligand Binding Affinity Prediction. J. Chem. Inf. Model. Gregory W. Kyro, Rafael I. Brent, Victor S. Batista
2023	J	`jnl`	Quantum convolutional neural networks for multi-channel supervised learning. Quantum Mach. Intell. Anthony M. Smaldone, Gregory W. Kyro, Victor S. Batista
2023	J	`jnl`	The landscape of computational approaches for artificial photosynthesis. Nat. Comput. Sci. Ke R. Yang, Gregory W. Kyro, Victor S. Batista
2022	J	`jnl`	HAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein-Ligand Binding Affinity Prediction. CoRR Gregory W. Kyro, Rafael I. Brent, Victor S. Batista