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A feature transferring workflow between data-poor compounds in various tasks.

Compound screening by in silico approaches has advantages in identifying high-activity leading compounds and can predict the safety of the drug. A key challenge is that the number of observations of drug activity and toxicity accumulation varies by target in different datasets, some of which are mor...

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Autores principales: Xiaofei Sun, Jingyuan Zhu, Bin Chen, Hengzhi You, Huiqing Xu
Formato: Artigo
Lenguaje:Inglês
Publicado: Public Library of Science (PLoS) 2022-01-01
Colección:PLoS ONE
Acceso en línea:https://doi.org/10.1371/journal.pone.0266088
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