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Updated: Jul 19, 2025

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pBRICS:一种新的碎片化方法,用于对类似药物的小分子进行可解释性属性预测

Sarveswara Rao Vangala1, Sowmya Ramaswamy Krishnan1, Navneet Bung1

  • 1TCS Research (Life Sciences Division), Tata Consultancy Services Limited, Hyderabad 500081, India.

Journal of chemical information and modeling
|August 16, 2023
PubMed
概括

我们开发了一种新的碎片化方法 (pBRICS),通过识别关键功能组来解释人工智能驱动的药物特性预测. 这种方法有助于药物化学家优化分子并了解模型行为,以便更好地设计药物.

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