Optimal Transport Based Graph Kernels for Drug Property Prediction

Optimal Transport Based Graph Kernels for Drug Property Prediction 150 150 IEEE Open Journal of Engineering in Medicine and Biology (OJEMB)

Abstract:

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 these properties during the early stages of drug development is challenging due to resource-intensive experimental evaluation and limited comprehensive data availability. To …

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