更正:利用深度集合神经网络预测小分子在终端设备上的溶解度

IF 6.2 Q1 CHEMISTRY, MULTIDISCIPLINARY Digital discovery Pub Date : 2024-05-03 DOI:10.1039/D4DD90020K
Mayk Caldas Ramos and Andrew D. White
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引用次数: 0

摘要

对 Mayk Caldas Ramos 和 Andrew D. White 的 "使用深度集合神经网络预测小分子在终端设备上的溶解度 "的更正,《数字发现》,2024 年 3 期,786-795,https://doi.org/10.1039/D3DD00217A。
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Correction: Predicting small molecules solubility on endpoint devices using deep ensemble neural networks

Correction for ‘Predicting small molecules solubility on endpoint devices using deep ensemble neural networks’ by Mayk Caldas Ramos and Andrew D. White, Digital Discovery, 2024, 3, 786–795, https://doi.org/10.1039/D3DD00217A.

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Back cover ArcaNN: automated enhanced sampling generation of training sets for chemically reactive machine learning interatomic potentials. Sorting polyolefins with near-infrared spectroscopy: identification of optimal data analysis pipelines and machine learning classifiers†‡ High accuracy uncertainty-aware interatomic force modeling with equivariant Bayesian neural networks† Correction: A smile is all you need: predicting limiting activity coefficients from SMILES with natural language processing
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