Cocrystal Prediction of Bexarotene by Graph Convolution Network and Bioavailability Improvement

• المؤلفون الرئيسيون: Fu Xiao (مؤلف), Yinxiang Cheng (مؤلف), Jian-Rong Wang (مؤلف), Dingyan Wang (مؤلف), Yuanyuan Zhang (مؤلف), Kaixian Chen (مؤلف), Xuefeng Mei (مؤلف), Xiaomin Luo (مؤلف)
• التنسيق: كتاب
• منشور في: MDPI AG, 2022-10-01T00:00:00Z.
• الموضوعات: article
• الوصول للمادة أونلاين: 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...