OSCAR: An extensive repository of chemically and functionally diverse organocatalysts
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下载链接:
https://archive.materialscloud.org/doi/10.24435/materialscloud:gy-3h
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资源简介:
We introduce OSCAR, a repository of thousands of experimentally derived (OSCAR seed and CSD-extracted) and combinatorially enriched organocatalysts (OSCAR!(NHC) and OSCAR!(DHBD) for N-heterocyclic carbenes and hydrogen bond donors, respectively). The structures and corresponding stereoelectronic properties are publicly available and constitute the starting point to build generative and predictive models for organocatalyst performance.
提供机构:
Materials Cloud
创建时间:
2022-08-22



