PharmacoMatch: Efficient 3D Pharmacophore Screening via Neural Subgraph Matching - Preprocessed Data
收藏Figshare2025-02-10 更新2026-04-08 收录
下载链接：
https://figshare.com/articles/dataset/PharmacoMatch_Efficient_3D_Pharmacophore_Screening_via_Neural_Subgraph_Matching_-_Preprocessed_Data/27061081/1
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资源简介：
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.
提供机构：
Wieder, Oliver; Langer, Thierry; Rose, Daniel; Seidel, Thomas
创建时间：
2025-02-10
