NP Atlas fingerprints

Figshare2024-05-03 更新2026-04-28 收录

天然产物化学

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数据链接：

https://figshare.com/articles/dataset/NP_Atlas_fingerprints/25745421 数据链接链接失效反馈

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资源简介：

Cheminformatic fingerprints of the NP Atlas natural products generated from GCNN model pre-trained on the LOTUS dataset. MPN = message passing neural network finerprint. Last_FFN = last layer of the subsequent feed forward neural network.

创建时间：

2024-05-03

Chemical constituents isolated from stems of Schisandra chinensis and their antifeedant activity against Tribolium castaneum

天然产物化学

活性测试

One new sesquiterpene (α-iso-cubebenol acetate, 8 ), together with 9 known compounds (1-7, 9, 10) were isolated from the stems of Schisandra chinensis (Turcz.) Baill. by repeated silica g

DataCite Commons2024-02-14 更新70

Structure and Absolute Configuration of Helosides A and B, New Saponins from Chamaelirium luteum

甾体皂苷结构解析

天然产物化学

Investigation of Chamaelirium luteum roots led to the isolation of two new steroidal saponins, helosides A (1) and B (2), that contain a previously unreported aglycone, helogenin (3). Their structures

Figshare2016-02-23 更新30

Data_Sheet_1_A New Source of Diterpene Lactones From Andrographis paniculata (Burm. f.) Nees—Two Endophytic Fungi of Colletotrichum sp. With Antibacterial and Antioxidant Activities.docx

天然产物化学

生物技术

Endophytic fungi of medicinal plants are abundant, and their metabolites often have antioxidant, antibacterial, and antitumor effects and can produce secondary metabolites identical or similar to thos

NIAID Data Ecosystem20

Bioactive Dimeric Tetrahydroxanthones with 2,2′- and 4,4′-Axial Linkages from the Entomopathogenic Fungus Aschersonia confluens

天然产物化学

抗疟药物发现

Thirteen tetrahydroxanthone dimers, atrop-ascherxanthone A (1), ascherxanthones C–G (2–6), and confluxanthones A–G (7–13), were isolated from the entomopathogenic fungus Aschersonia confluens BCC53152

NIAID Data Ecosystem40

Ablation study on key components (QM9 MAE ↓).

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纳米医学

Maximizing information transfer across different structural scales is critical for effective molecular representation learning. Current molecular graph neural networks fail to fully capture the multi-

Figshare2025-10-06 更新20

NP Atlas fingerprints

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