Cocrystal Prediction of Bexarotene by Graph Convolution Network and Bioavailability Improvement

• Prif Awduron: Fu Xiao (Awdur), Yinxiang Cheng (Awdur), Jian-Rong Wang (Awdur), Dingyan Wang (Awdur), Yuanyuan Zhang (Awdur), Kaixian Chen (Awdur), Xuefeng Mei (Awdur), Xiaomin Luo (Awdur)
• Fformat: Llyfr
• Cyhoeddwyd: MDPI AG, 2022-10-01T00:00:00Z.
• Pynciau: article
• Mynediad Ar-lein: 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...