Cocrystal Prediction of Bexarotene by Graph Convolution Network and Bioavailability Improvement

• Príomhchruthaitheoirí: Fu Xiao (Údar), Yinxiang Cheng (Údar), Jian-Rong Wang (Údar), Dingyan Wang (Údar), Yuanyuan Zhang (Údar), Kaixian Chen (Údar), Xuefeng Mei (Údar), Xiaomin Luo (Údar)
• Formáid: LEABHAR
• Foilsithe / Cruthaithe: MDPI AG, 2022-10-01T00:00:00Z.
• Ábhair: article
• Rochtain ar líne: 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...