SPADE selects ligands more efficiently than deep learning or Bayesian optimization, needing fewer tests on average to identify high-quality drug candidates for novel proteins.
Accurate Prediction of Ligand-Protein Interaction Affinities with Fine-Tuned Small Language Models.ArXiv, abs/2407.00111v1
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SPADE: Faster Drug Discovery by Learning from Sparse Data
SPADE selects ligands more efficiently than deep learning or Bayesian optimization, needing fewer tests on average to identify high-quality drug candidates for novel proteins.