activity
20222025
most citedHAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein-Ligand Binding Affinity Prediction

74 citations · 123 across the 6 of their papers we have counts for

collaborators
Showing cs.AIShow all

1 paper · 1 filter

cs.AI2025★ 1 cited

FragmentRetro: A Quadratic Retrosynthetic Method Based on Fragmentation Algorithms

Yu Shee, Anthony M. Smaldone, Anton Morgunov +2

Retrosynthesis, the process of deconstructing a target molecule into simpler precursors, is crucial for computer-aided synthesis planning (CASP). Widely adopted tree-search methods…