Explainable artificial intelligence for targeted protein degradation predictions

Explainable artificial intelligence for targeted protein degradation predictions

Defining structure-activity relationships (SAR) is a central task in medicinal chemistry. Apart from optimizing activity against the target of interest, off-target activities and other properties need to be balanced to ensure a suitable property profile, which is an exceptional challenge in drug des...

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Bibliographic Details
Main Authors: Francis J. Prael III, Jutta Blank, William C. Forrester, Lingling Shen, Raquel Rodríguez-Pérez
Format: Article
Language:English
Published: Elsevier 2025-06-01
Series:Artificial Intelligence in the Life Sciences
Subjects:
Explainable artificial intelligence (XAI)
Explainable machine learning
Targeted protein degradation
Structure-activity relationships
Compound activity
Drug design
Online Access:http://www.sciencedirect.com/science/article/pii/S266731852400028X
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