16 citations · 21 across the 6 of their papers we have counts for
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q-bio.BM2024★ 1 cited
On Machine Learning Approaches for Protein-Ligand Binding Affinity Prediction
Nikolai Schapin, Carles Navarro, Albert Bou +1
Binding affinity optimization is crucial in early-stage drug discovery. While numerous machine learning methods exist for predicting ligand potency, their comparative efficacy rema…
cs.LG2024★ 3 cited
ACEGEN: Reinforcement learning of generative chemical agents for drug discovery
Albert Bou, Morgan Thomas, Sebastian Dittert +10
In recent years, reinforcement learning (RL) has emerged as a valuable tool in drug design, offering the potential to propose and optimize molecules with desired properties. Howeve…