Optimal Transport Based Graph Kernels for Drug Property Prediction

<italic>Objective:</italic> The development of pharmaceutical agents relies heavily on optimizing their pharmacodynamics, pharmacokinetics, and toxicological properties, collectively known as ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity). Accurate assessment of th...

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Bibliographic Details
Main Authors: Mohammed Aburidi, Roummel Marcia
Format: Article
Language:English
Published: IEEE 2025-01-01
Series:IEEE Open Journal of Engineering in Medicine and Biology
Subjects:
Online Access:https://ieeexplore.ieee.org/document/10716457/
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