Cocrystal Prediction of Bexarotene by Graph Convolution Network and Bioavailability Improvement

• मुख्य लेखकों: Fu Xiao (लेखक), Yinxiang Cheng (लेखक), Jian-Rong Wang (लेखक), Dingyan Wang (लेखक), Yuanyuan Zhang (लेखक), Kaixian Chen (लेखक), Xuefeng Mei (लेखक), Xiaomin Luo (लेखक)
• स्वरूप: पुस्तक
• प्रकाशित: MDPI AG, 2022-10-01T00:00:00Z.
• विषय: article
• ऑनलाइन पहुंच: 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...