Cocrystal Prediction of Bexarotene by Graph Convolution Network and Bioavailability Improvement

• Autores principales: Fu Xiao (Autor), Yinxiang Cheng (Autor), Jian-Rong Wang (Autor), Dingyan Wang (Autor), Yuanyuan Zhang (Autor), Kaixian Chen (Autor), Xuefeng Mei (Autor), Xiaomin Luo (Autor)
• Formato: Libro
• Publicado: MDPI AG, 2022-10-01T00:00:00Z.
• Materias: article
• Acceso en línea: Connect to this object online.

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...