MRlogP: Transfer Learning Enables Accurate logP Prediction Using Small Experimental Training Datasets

Small molecule lipophilicity is often included in generalized rules for medicinal chemistry. These rules aim to reduce time, effort, costs, and attrition rates in drug discovery, allowing the rejection or prioritization of compounds without the need for synthesis and testing. The availability of hig...

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Autores principales: Yan-Kai Chen, Steven Shave, Manfred Auer
Formato: article
Lenguaje:EN
Publicado: MDPI AG 2021
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Acceso en línea:https://doaj.org/article/9e399a6a966d4276ac9fafce1d8b1586
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