Lipinski Drug Set (max_seq = 113, vocab=30)
收藏Figshare2021-07-30 更新2026-04-08 收录
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https://figshare.com/articles/dataset/Lipinski_Drug_Set_max_seq_113_vocab_30_/15079077/2
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资源简介：
Lipinski filtered, no charge, no radical, atom list limited (Molecules can only have 'C H O N S P N F Cl Br I' atoms.), and semantically filtered (SELFIES cannot have '+' or '-' in token), onehot and labeled with stoi/itos respectively pickle dictionary.<br>
提供机构：
Frazier, Jared
创建时间：
2021-07-30
