Predicting absolute aqueous solubility by applying a machine learning model for an artificially liquid-state as proxy for the solid-state.

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Bibliographic Details
Title: Predicting absolute aqueous solubility by applying a machine learning model for an artificially liquid-state as proxy for the solid-state.
Authors: Gheta, Sadra Kashef Ol1, Bonin, Anne1, Gerlach, Thomas2,3, Göller, Andreas H.1, andreas.goeller@bayer.com
Source: Journal of Computer-Aided Molecular Design; Dec2023, Vol. 37 Issue 12, p765-789, 25p
Database: Applied Science & Technology Source
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ISSN:0920654X
DOI:10.1007/s10822-023-00538-w