遇见数据集

KIEA-IRES Exploration II: Morris Sensitivity-analysis-driven Refinement

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Zenodo2024-05-16 更新2026-05-26 收录
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资源简介:

This repository contains the data for the automated reaction network exploration of the Eschemoser-Claisen rearrangements of allyl alcohol and furfuryl alcohol using Morris sensitivity analysis as a measure for the targeted network refinement, as presented in Bensberg, M.; Reiher, M., Uncertainty-aware First-principles Exploration of Chemical Reaction Networks, **2023** arXiv, DOI: 10.48550/ARXIV.2312.15477.

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Zenodo
创建时间:
2023-12-24
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