Article

The Human-In-the-Loop Drug Design Framework with Equivariant Rectified Flow

2025-11-21

Abstract excerpt

Advancements in AI-based drug design often face obstacles due to incomplete datasets, hindering progress to clinical trials. Human experts bring invaluable expertise and nuanced contextual understanding to drug design. There are two main difficulties in integrating human knowledge into the drug development process. First, human annotations are costly, and traditional machine learning algorithms require a large num...

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Literature Corpus work: bb84fca9-65af-5d3e-b897-cb27ba16d4df
DOI: 10.1101/2025.11.20.689585

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