Lipinski Dataset with only Top 10 Intervals for Length of Molecules Included (max_len_molec=48, vocab=30)
收藏Figshare2021-07-30 更新2026-04-08 收录
下载链接：
https://figshare.com/articles/dataset/Lipinski_Dataset_with_only_Top_10_Intervals_for_Length_of_Molecules_Included_max_len_molec_48_vocab_30_/15082929/1
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资源简介：
Lipinski filtered, rdkit no charge/no radical, semantically filtered (no - or + in SELFIES), top n intervals molecules data. The intervals represent bins for SELFIES molecules length. Using only the top intervals reduces the amount of padding needed. Sample size 4673.<br>
提供机构：
Frazier, Jared
创建时间：
2021-07-30
