74 citations · 89 across the 2 of their papers we have counts for
2 papers
cs.LG2023★ 15 cited
ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation
Gregory W. Kyro, Anton Morgunov, Rafael I. Brent +1
The incredible capabilities of generative artificial intelligence models have inevitably led to their application in the domain of drug discovery. Within this domain, the vastness…
q-bio.BM2022★ 74 cited
HAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein-Ligand Binding Affinity Prediction
Gregory W. Kyro, Rafael I. Brent, Victor S. Batista
Applying deep learning concepts from image detection and graph theory has greatly advanced protein-ligand binding affinity prediction, a challenge with enormous ramifications for b…