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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| Title: | 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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| 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 |
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| DOI: | 10.1007/s10822-023-00538-w |