A new topology-based method predicts atomic charges in metal-organic frameworks from bond connectivity alone, making large-scale computational screening practical.
Abstract: To improve the accuracy and robustness of fault diagnosis with limited identically distributed labeled data and unknown diagnostic targets, this article proposes a fault diagnosis method ...
New forms of fentanyl are created every day. For law enforcement, that poses a challenge: How do you identify a chemical you've never seen before? Researchers at Lawrence Livermore National Laboratory ...
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