Cocrystal Prediction of Bexarotene by Graph Convolution Network and Bioavailability Improvement

• Hauptverfasser: Fu Xiao (Verfasst von), Yinxiang Cheng (Verfasst von), Jian-Rong Wang (Verfasst von), Dingyan Wang (Verfasst von), Yuanyuan Zhang (Verfasst von), Kaixian Chen (Verfasst von), Xuefeng Mei (Verfasst von), Xiaomin Luo (Verfasst von)
• Format: Buch
• Veröffentlicht: MDPI AG, 2022-10-01T00:00:00Z.
• Schlagworte: article
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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...