screening for bio-orthogonal click reactions
收藏DataCite Commons2022-12-27 更新2024-07-29 收录
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https://figshare.com/articles/dataset/screening_for_bio-orthogonal_click_reactions/21782327
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资源简介：
This item consists of the auxiliary data for https://arxiv.org/abs/2212.07621. It contains the .xyz and .log files for all the reaction profiles computed as part of the active learning procedure, as well as the computed QM descriptors for all the species featured in the search space. For more context, see the original paper.
提供机构：
figshare
创建时间：
2022-12-27
