NPClassifier annotations for the PubChem CID-SMILES dump
收藏Zenodo2026-04-22 更新2026-05-26 收录
下载链接：
https://zenodo.org/doi/10.5281/zenodo.19701308
下载链接
链接失效反馈官方服务：
资源简介：
NPClassifier predictions for the full PubChem CID-SMILES dump produced offline with recovered NPClassifier weights and a pinned legacy RDKit. This compact release contains row metadata, pathway vectors, superclass vectors, aggregate counts, and sparse class scores aligned to the emitted class ids.
提供机构：
Zenodo创建时间：
2026-04-22
