JEDEL maps pharmacophore patterns to scalable combinatorial synthesis routes for DNA-encoded libraries, producing focused libraries that outperform baselines on 18 targets in zero-shot mode.
The pdbbind database: Collection of binding affinities for protein–ligand complexes with known three-dimensional structures.Journal of Medicinal Chemistry, 47(12): 2977–2980, 2004
2 Pith papers cite this work. Polarity classification is still indexing.
2
Pith papers citing it
years
2026 2verdicts
UNVERDICTED 2representative citing papers
Secondary-structure-aware GNN using energy-filtered hydrogen-bond edges improves protein representation learning on standard benchmarks.
citing papers explorer
-
JEDEL: Zero-Shot DNA-Encoded Library Design for Early-Stage Drug Discovery
JEDEL maps pharmacophore patterns to scalable combinatorial synthesis routes for DNA-encoded libraries, producing focused libraries that outperform baselines on 18 targets in zero-shot mode.
-
Protein Representation Learning with Secondary-Structure and Energy-Filtered Hydrogen-Bond Graphs
Secondary-structure-aware GNN using energy-filtered hydrogen-bond edges improves protein representation learning on standard benchmarks.