Cocrystal Prediction of Bexarotene by Graph Convolution Network and Bioavailability Improvement

• 主要な著者: Fu Xiao (著者), Yinxiang Cheng (著者), Jian-Rong Wang (著者), Dingyan Wang (著者), Yuanyuan Zhang (著者), Kaixian Chen (著者), Xuefeng Mei (著者), Xiaomin Luo (著者)
• フォーマット: 図書
• 出版事項: MDPI AG, 2022-10-01T00:00:00Z.
• 主題: article
• オンライン･アクセス: 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...