most citedReinforcement Learning-Driven Linker Design via Fast Attention-based Point Cloud Alignment

9 citations · 9 across the 2 of their papers we have counts for

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cs.LG2023

FSscore: A Machine Learning-based Synthetic Feasibility Score Leveraging Human Expertise

Rebecca M. Neeser, Bruno Correia, Philippe Schwaller

Determining whether a molecule can be synthesized is crucial in chemistry and drug discovery, as it guides experimental prioritization and molecule ranking in de novo design tasks.…

cs.LG2023★ 9 cited

Reinforcement Learning-Driven Linker Design via Fast Attention-based Point Cloud Alignment

Rebecca M. Neeser, Mehmet Akdel, Daniel Kovtun +1

Proteolysis-Targeting Chimeras (PROTACs) represent a novel class of small molecules which are designed to act as a bridge between an E3 ligase and a disease-relevant protein, there…