PharmacoMatch: Efficient 3D Pharmacophore Screening via Neural Subgraph Matching - Preprocessed Data
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This item contains the preprocessed data of the PharmacoMatch paper. Training data was downloaded from the ChEMBL database, while test sets are based on the DUD-E, DEKOIS2.0, and LIT-PCBA benchmark datasets.
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figshare创建时间：
2025-02-10
