Article

DrugHIVE: Target-specific spatial drug design and optimization with a hierarchical generative model

2023-12-23

Abstract excerpt

<h4>ABSTRACT</h4> Rapid advancement in the computational methods of structure-based drug design has led to their widespread adoption as key tools in the early drug development process. Recently, the remarkable growth of available crystal structure data and libraries of commercially available or readily synthesizable molecules have unlocked previously inaccessible regions of chemical space for drug development. Pa...

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Literature Corpus work: 4405ec7c-f955-5760-a13d-93430faa262e
DOI: 10.1101/2023.12.22.573155

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