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NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products

NIAID Data Ecosystem2026-03-12 收录

天然产物结构分类

深度学习化学分类

数据链接：

https://zenodo.org/records/5068687 数据链接链接失效反馈

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资源简介：

Dataset for NPClassifier project

NPClassifier项目数据集

应用场景：

创建时间：

2021-09-21

天然产物结构分类

化学信息学预测

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 vector

Zenodo2026-04-22 更新30

NPClassifier predictions of COCONUT compounds

天然产物结构分类

化学信息学

Class predictions as returned by NPClassifier of COCONUT compounds. Used NPClassifier between 2024.01.03~2024.01.15. Used COCONUT version 2022.01.01 References: Kim, H. W. et al. NPClassifi

Zenodo2024-02-07 更新00

NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products

天然产物结构分类

计算化学生物信息学

Computational approaches such as genome and metabolome mining are becoming essential to natural products (NPs) research. Consequently, a need exists for an automated structure-type classification syst

Figshare2021-11-26 更新00

NPClassifier predictions of COCONUT compounds

天然产物结构分类

化学信息学

Class predictions as returned by NPClassifier of COCONUT compounds. Used NPClassifier between 2024.01.03~2024.01.15. Used COCONUT version 2022.01.01 References: Kim, H. W. et al. NPClassifi

NIAID Data Ecosystem10

NPClassifier predictions of COCONUT compounds

天然产物结构分类

化学信息学

Class predictions as returned by NPClassifier of COCONUT compounds. Used NPClassifier between 2024.01.03~2024.01.15. Used COCONUT version 2022.01.01 References: Kim, H. W. et al. NPClassifi

Zenodo2024-02-07 更新00

NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products

资源简介：

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