miDruglikeness: Subdivisional Drug-Likeness Prediction Models Using Active Ensemble Learning Strategies

The drug development pipeline involves several stages including in vitro assays, in vivo assays, and clinical trials. For candidate selection, it is important to consider that a compound will successfully pass through these stages. Using graph neural networks, we developed three subdivisional models...

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Detalles Bibliográficos
Autores principales: Cai, Chenjing, Lin, Haoyu, Wang, Hongyi, Xu, Youjun, Ouyang, Qi, Lai, Luhua, Pei, Jianfeng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9855665/
https://www.ncbi.nlm.nih.gov/pubmed/36671415
http://dx.doi.org/10.3390/biom13010029

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9855665/
https://www.ncbi.nlm.nih.gov/pubmed/36671415
http://dx.doi.org/10.3390/biom13010029

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