Cocrystal Prediction of Bexarotene by Graph Convolution Network and Bioavailability Improvement

• Váldodahkkit: Fu Xiao (Dahkki), Yinxiang Cheng (Dahkki), Jian-Rong Wang (Dahkki), Dingyan Wang (Dahkki), Yuanyuan Zhang (Dahkki), Kaixian Chen (Dahkki), Xuefeng Mei (Dahkki), Xiaomin Luo (Dahkki)
• Materiálatiipa: Girji
• Almmustuhtton: MDPI AG, 2022-10-01T00:00:00Z.
• Fáttát: article
• Liŋkkat: 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...