ArticleJournal of natural products2021
NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products.
Article in Journal of natural products, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 276 papers.
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Who cites it
276 citing papers in PubMed.
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- DeepMASS v.2: An enhanced deep learning platform for large-scale discovery and structural annotation of unknown plant metabolites.Plant communications · 2026Article
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- Biopesticidal Potential of theInternational journal of molecular sciences · 2026Article
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- Alcoholic extracts of Russian sage (Salvia yangii) contain bioactive terpenoids with inhibitory activity against grapevine downy mildew (Plasmopara viticola).Pest management science · 2026Article
- Integrative Multi-omics and Machine Learning Reveal the Therapeutic Mechanisms of Juanyu-Xiaozhi Formula in Metabolic Dysfunction-associated Steatotic Liver Disease and Hepatic Fibrosis via the AP-1/PPARγ/SCD1 Axis.Journal of clinical and translational hepatology · 2026Article
- Metabolomic and biochemometric profiling of Tecoma stans with mechanistic insights of its in vitro cytotoxic activity.Scientific reports · 2026Article
- Multimodal Characterization of Acerola-Derived Gold Nanoparticles through Integrated Advanced Distributional Analysis.ACS omega · 2026Article
- Enhancing Molecular Change: Iron-Mediated Photochemistry Increases DOM Transformation in Tropical Peatland Canals.Environmental science & technology · 2026Article
- Protocol for untargeted LC-MS/MS metabolomics annotation and differential abundance analysis using the SIRIUS Python client.STAR protocols · 2026Article
- Fine-grained structural classification of biosynthetic gene cluster-encoded products.Bioinformatics (Oxford, England) · 2026Article
- Integrating Suspect and Nontargeted Screening for Food Safety Testing: A Case Study of Bee Pollen Supplements.Analytical chemistry · 2026Article
- Bacteriophage replication strategies are associated with organic matter energy content on coral reefs.mSystems · 2026Article
- Global distribution of deep-sea natural products shows environmental and phylogenetic undersampling with potential for biodiscovery.Scientific reports · 2026Article
216 more citing papers are in PubMed but not listed here.
Corrections and comments
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Authors and funding
10 authors.
Funding
Abstract
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 system to handle the massive amounts of data appearing for NP structures. An ideal semantic ontology for the classification of NPs should go beyond the simple presence/absence of chemical substructures, but also include the taxonomy of the producing organism, the nature of the biosynthetic pathway, and/or their biological properties. Thus, a holistic and automatic NP classification framework could have considerable value to comprehensively navigate the relatedness of NPs, and especially so when analyzing large numbers of NPs. Here, we introduce NPClassifier, a deep-learning tool for the automated structural classification of NPs from their counted Morgan fingerprints. NPClassifier is expected to accelerate and enhance NP discovery by linking NP structures to their underlying properties.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.