screening for bio-orthogonal click reactions
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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.
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figshare创建时间：
2022-12-27
