Lipinski Drug Set (max_seq = 113, vocab=30)
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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>
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Frazier, Jared创建时间：
2021-07-30
