Cocrystal Prediction of Bexarotene by Graph Convolution Network and Bioavailability Improvement

• Asıl Yazarlar: Fu Xiao (Yazar), Yinxiang Cheng (Yazar), Jian-Rong Wang (Yazar), Dingyan Wang (Yazar), Yuanyuan Zhang (Yazar), Kaixian Chen (Yazar), Xuefeng Mei (Yazar), Xiaomin Luo (Yazar)
• Materyal Türü: Kitap
• Baskı/Yayın Bilgisi: MDPI AG, 2022-10-01T00:00:00Z.
• Konular: article
• Online Erişim: 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...