Article

Data-Driven Selection of Mechanistic Models for Predicting Human Heart Drug Partitioning

2026-06-22

Abstract excerpt

<title>Abstract</title> <p>We developed a workflow based on a human-derived dataset, aiming to predict the human heart-to-plasma partition coefficient, \(\:{K}_{p}\). The workflow combines established mechanistic tissue-composition models with an AI/ML-based selector that supports compound-specific selection among mechanistic heart \(\:{K}_{p}\) prediction methods. Three published mechanistic approaches were impl...

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Literature Corpus work: a9f75111-974c-508e-a3d0-24ff36e5785c
DOI: 10.21203/rs.3.rs-9969413/v1

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