NPClassifier PubChem Classifications (2026-04-02)
收藏Zenodo2026-04-02 更新2026-05-26 收录
下载链接：
https://zenodo.org/doi/10.5281/zenodo.14249894
下载链接
链接失效反馈官方服务：
资源简介：
Open dataset of NPClassifier classifications for PubChem compounds.
This snapshot contains 2547088 successful NPClassifier responses. Rows that ended invalid (572) or failed after bounded inline retry (26) are excluded from the release artifact.
The release contains a merged completed.jsonl.zst dataset and a machine-readable manifest.json describing the chunk set used to build it.
Each completed row contains the PubChem CID, SMILES, the NPClassifier pathway, superclass, and class labels as JSON arrays, plus the glycoside flag.
Format: JSON Lines compressed with Zstandard.
Excluded rows in this snapshot: 598.
Source code: npc-labeler.
提供机构：
Zenodo创建时间：
2026-04-02
