Random Library
收藏DataCite Commons2022-02-09 更新2024-08-18 收录
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https://figshare.com/articles/dataset/Random_Library/19142624
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资源简介：
We constructed a random library using SECSE without any other evaluation constraint to estimate the molecular properties of generated compounds. Benzene was assigned as the only input fragment. During each iteration, one hundred molecules that passed the filter were randomly selected as seeds for the next iteration. The final random library after ten rounds of iteration contains 2,042,863 molecules.
提供机构：
figshare
创建时间：
2022-02-09
