Cocrystal Prediction of Bexarotene by Graph Convolution Network and Bioavailability Improvement

• Päätekijät: Fu Xiao (Tekijä), Yinxiang Cheng (Tekijä), Jian-Rong Wang (Tekijä), Dingyan Wang (Tekijä), Yuanyuan Zhang (Tekijä), Kaixian Chen (Tekijä), Xuefeng Mei (Tekijä), Xiaomin Luo (Tekijä)
• Aineistotyyppi: Kirja
• Julkaistu: MDPI AG, 2022-10-01T00:00:00Z.
• Aiheet: article
• Linkit: 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...