Cocrystal Prediction of Bexarotene by Graph Convolution Network and Bioavailability Improvement

• Autori principali: Fu Xiao (Autore), Yinxiang Cheng (Autore), Jian-Rong Wang (Autore), Dingyan Wang (Autore), Yuanyuan Zhang (Autore), Kaixian Chen (Autore), Xuefeng Mei (Autore), Xiaomin Luo (Autore)
• Natura: Libro
• Pubblicazione: MDPI AG, 2022-10-01T00:00:00Z.
• Soggetti: article
• Accesso online: 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...