Molecular Models
Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving
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E Sila Ozdemir1, Hyunbum Jang2, Ruth Nussinov3
1Independent Researcher, Seattle, WA 98109.
计算方法,特别是人工智能 (AI) 和机器学习 (ML),正在彻底改变药物发现的宏分子建模. 这些AI/ML方法增强结构预测,分子设计和相互作用分析,加速治疗开发.
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