Kinetic solubility: Experimental and machine‐learning modeling perspectives

Kinetic aqueous or buffer solubility is important parameter measuring suitability of compounds for high throughput assays in early drug discovery while thermodynamic solubility is reserved for later stages of drug discovery and development. Kinetic solubility is also considered to have low inter‐lab...

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Veröffentlicht in:Molecular informatics 2024-02, Vol.43 (2), p.e202300216-n/a
Hauptverfasser: Baybekov, Shamkhal, Llompart, Pierre, Marcou, Gilles, Gizzi, Patrick, Galzi, Jean‐Luc, Ramos, Pascal, Saurel, Olivier, Bourban, Claire, Minoletti, Claire, Varnek, Alexandre
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Sprache:eng
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