Cocrystal Prediction of Bexarotene by Graph Convolution Network and Bioavailability Improvement

Bexarotene (BEX) was approved by the FDA in 1999 for the treatment of cutaneous T-cell lymphoma (CTCL). The poor aqueous solubility causes the low bioavailability of the drug and thereby limits the clinical application. In this study, we developed a GCN-based deep learning model (CocrystalGCN) for i...

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Autors principals:	Fu Xiao, Yinxiang Cheng, Jian-Rong Wang, Dingyan Wang, Yuanyuan Zhang, Kaixian Chen, Xuefeng Mei, Xiaomin Luo
Format:	Artigo
Idioma:	Inglês
Publicat:	MDPI AG 2022-10-01
Col·lecció:	Pharmaceutics
Matèries:	bexarotene cocrystal prediction GCN bioavailability
Accés en línia:	https://www.mdpi.com/1999-4923/14/10/2198
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