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Ngoc Bach Hoang

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#software testing Open access Sep 2026

ESOL Reimplementation and Extension: Aqueous Solubility Prediction with Linear and Tree-Based Models

This software release provides a reproducible reimplementation and extension of the ESOL aqueous-solubility prediction method. It compares the published ESOL equation, refitted linear models, Extra Trees, and histogram gradient boosting using AqSolDB and curated OChem data. The combined benchmark contains 10,000 retain...

Ngoc Bach Hoang · 0 citations

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