Cocrystal Prediction of Bexarotene by Graph Convolution Network and Bioavailability Improvement

• Κύριοι συγγραφείς: Fu Xiao (Συγγραφέας), Yinxiang Cheng (Συγγραφέας), Jian-Rong Wang (Συγγραφέας), Dingyan Wang (Συγγραφέας), Yuanyuan Zhang (Συγγραφέας), Kaixian Chen (Συγγραφέας), Xuefeng Mei (Συγγραφέας), Xiaomin Luo (Συγγραφέας)
• Μορφή: Βιβλίο
• Έκδοση: MDPI AG, 2022-10-01T00:00:00Z.
• Θέματα: article
• Διαθέσιμο Online: 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...