Cocrystal Prediction of Bexarotene by Graph Convolution Network and Bioavailability Improvement

• Auteurs principaux: Fu Xiao (Auteur), Yinxiang Cheng (Auteur), Jian-Rong Wang (Auteur), Dingyan Wang (Auteur), Yuanyuan Zhang (Auteur), Kaixian Chen (Auteur), Xuefeng Mei (Auteur), Xiaomin Luo (Auteur)
• Format: Livre
• Publié: MDPI AG, 2022-10-01T00:00:00Z.
• Sujets: article
• Accès en ligne: 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...