NPClassifier predictions of COCONUT compounds
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https://zenodo.org/record/10629837
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资源简介：
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. NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products. J. Nat. Prod. 84, 2795–2807 (2021). 10.1021/acs.jnatprod.1c00399
Sorokina, M., Merseburger, P., Rajan, K., Yirik, M. A. & Steinbeck, C. COCONUT online: Collection of Open Natural Products database. J. Cheminformatics 13, 2 (2021). https://doi.org/10.1186/s13321-020-00478-9
创建时间：
2024-02-07
