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Updated: Jan 15, 2026

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
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在药物发现过程中增强药物向相互作用预测的生成框架

Roshan R Kotkondawar1, Sanjay R Sutar2, Arvind W Kiwelekar3

  • 1Department of Information Technology, Dr. Babasaheb Ambedkar Technological University, Lonere, Raigad, Maharashtra, 402103, India. kotkondawarroshan@gmail.com.

Scientific reports
|October 13, 2025
PubMed
概括

本研究介绍了VGAN-DTI,这是一种使用生成对抗网络 (GAN) 和变异自编码器 (VAE) 的新型AI框架,用于精确的in silico药物向相互作用预测,加速制药研究.

关键词:
生物信息学是一种生物信息学.在 DTI 中,DTI 是指DTI.深度学习是一种深度学习.药物发现 药物发现分子力学分子力学斯米莱斯 (SMILES) 是一个有趣的小孩.

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