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Updated: Jun 11, 2025

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
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ChemAP:通过利用多模式嵌入空间和知识蒸,在临床试验阶段之前预测化学结构的药物批准

Changyun Cho1,2, Sangseon Lee3,4, Dongmin Bang1,2

  • 1Interdisciplinary Program in Bioinformatics, Seoul National University, Seoul, 08826, Republic of Korea.

Scientific reports
|October 3, 2024
PubMed
概括

化学AP仅使用化学结构来预测药物批准,从而使早期药物发现决策成为可能. 这种计算模型通过有效地识别有前途的候选药物来增强资源配置.

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