计算机科学
密度泛函理论
自然(考古学)
联轴节(管道)
选择(遗传算法)
化学
计算化学
计算模型
生化工程
核磁共振波谱
人工智能
材料科学
作者
Srinivas Beduru,Andrei G. Kutateladze
摘要
article describes a personal selection of recent misassigned structures of natural products and their revision with the aid of DU8ML, a machine learning-augmented DFT computational method for fast and accurate calculations of solution NMR chemical shifts and spin-spin coupling constants.
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