Cocrystal Prediction of Bexarotene by Graph Convolution Network and Bioavailability Improvement

• প্রধান লেখক: Fu Xiao (লেখক), Yinxiang Cheng (লেখক), Jian-Rong Wang (লেখক), Dingyan Wang (লেখক), Yuanyuan Zhang (লেখক), Kaixian Chen (লেখক), Xuefeng Mei (লেখক), Xiaomin Luo (লেখক)
• বিন্যাস: গ্রন্থ
• প্রকাশিত: MDPI AG, 2022-10-01T00:00:00Z.
• বিষয়গুলি: article
• অনলাইন ব্যবহার করুন: 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...