Inventa: A computational tool to discover structural novelty in natural extracts libraries (Q115177826)

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subject heading

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WUSPTHMFTBWJDO-KOPSDWRJSA-N

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IEENCNNCPOLOQP-CYNYGQNTSA-N

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1

Luis-Manuel Quiros-Guerrero

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12 November 2022

3

Arnaud Gaudry

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12 November 2022

6

Adriano Rutz

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12 November 2022

5

Pierre-Marie Allard

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12 November 2022

9

Jean-Luc Wolfender

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12 November 2022

4

Laurence Marcourt

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Crossref

12 November 2022

Emerson Ferreira Queiroz

series ordinal

8

object named as

Emerson Ferreira Queiroz

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12 November 2022

2

Louis-Félix Nothias

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12 November 2022

7

Bruno David

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12 November 2022

11 November 2022

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Crossref

full work available at URL

12 November 2022

https://www.frontiersin.org/articles/10.3389/fmolb.2022.1028334/pdf

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19 March 2024

https://api.unpaywall.org/v2/10.3389/fmolb.2022.1028334?email=unpaywall_01@example.com

published in

Frontiers in molecular biosciences

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12 November 2022

9

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12 November 2022

Creative Commons Attribution 4.0 International

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copyright status

copyrighted

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describes a project that uses

NMR spectroscopy

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Open Tree of Life

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liquid chromatography–mass spectrometry

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Charged Aerosol Detector

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Dictionary of Natural Products

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19 March 2024

https://api.unpaywall.org/v2/10.3389/fmolb.2022.1028334?email=unpaywall_01@example.com

acknowledged

Egon Willighagen

object named as

"The authors thank Egon Willighagen for the help with fully defined SMILES upload on Wikidata."

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access restriction status

open access

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based on heuristic

inferred from online access status

cites work

The LOTUS initiative for open knowledge management in natural products research

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.7554/ELIFE.70780

Molecules from nature: Reconciling biodiversity conservation and global healthcare imperatives for sustainable use of medicinal plants and fungi

27 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

MEMO: Mass Spectrometry-Based Sample Vectorization to Explore Chemodiverse Datasets

29 January 2023

2 references

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

29 January 2023

https://opencitations.net/index/coci/api/v1/citations/10.3389/FBINF.2022.842964

Circular dichroism calculation for natural products

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

The evolution of anticancer drug discovery from plants

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Utility of dry load injection for an efficient natural products isolation at the semi-preparative chromatographic scale

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Searching molecular structure databases with tandem mass spectra using CSI:FingerID.

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Feature-based molecular networking in the GNPS analysis environment

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Deep metabolome annotation in natural products research: towards a virtuous cycle in metabolite identification

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Automated assembly of a reference taxonomy for phylogenetic data synthesis.

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

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

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

MS2Planner: improved fragmentation spectra coverage in untargeted mass spectrometry by iterative optimized data acquisition

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Bioguided isolation of pharmacologically active plant components, still a valuable strategy for the finding of new lead compounds?

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

A cross-platform toolkit for mass spectrometry and proteomics

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Comprehensive Large-Scale Integrative Analysis of Omics Data To Accelerate Specialized Metabolite Discovery

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Celahinine A, a new sesquiterpene pyridine alkaloid from Celastrus hindsii

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Natural Products as Sources of New Drugs over the Nearly Four Decades from 01/1981 to 09/2019

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

A convenient thin layer chromatographic technique for chemotaxonomic application in Maytenus (Celastraceae)

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Bioactivity-Based Molecular Networking for the Discovery of Drug Leads in Natural Product Bioassay-Guided Fractionation.

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Taxonomy and chemotaxonomy of some species of celastraceae

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Integration of Molecular Networking and In-Silico MS/MS Fragmentation for Natural Products Dereplication.

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Networks and Graphs Discovery in Metabolomics Data Analysis and Interpretation

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Maytansine, a novel antileukemic ansa macrolide from Maytenus ovatus

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Innovative omics-based approaches for prioritisation and targeted isolation of natural products - new strategies for drug discovery

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

LC-HRMS-Database Screening Metrics for Rapid Prioritization of Samples to Accelerate the Discovery of Structurally New Natural Products

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Natural products targeting strategies involving molecular networking: different manners, one goal

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Integrative omics approaches for biosynthetic pathway discovery in plants

29 January 2023

2 references

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

29 January 2023

https://opencitations.net/index/coci/api/v1/citations/10.1039/D2NP00032F

Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Implementations of the chemical structural and compositional similarity metric in R and Python

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

High-confidence structural annotation of metabolites absent from spectral libraries

29 January 2023

2 references

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

29 January 2023

https://opencitations.net/index/coci/api/v1/citations/10.1038/S41587-021-01045-9

Bioactive natural products prioritization using massive multi-informational molecular networks

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Metabolomics – the link between genotypes and phenotypes

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Comparative foliar metabolomics of a tropical and a temperate forest community

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

LineUp: visual analysis of multi-attribute rankings

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

MZmine 2: modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Taxonomically Informed Scoring Enhances Confidence in Natural Products Annotation

29 January 2023

2 references

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

29 January 2023

https://opencitations.net/index/coci/api/v1/citations/10.3389/FPLS.2019.01329

Modern mass spectrometry for synthetic biology and structure-based discovery of natural products.

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Celastrol: Molecular targets of Thunder God Vine

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Database-independent molecular formula annotation using Gibbs sampling through ZODIAC

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Distinct sesquiterpene pyridine alkaloids from in Salvadoran and Peruvian Celastraceae species

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Species Prioritization Based on Spectral Dissimilarity: A Case Study of Polyporoid Fungal Species

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

The genus Tripterygium: A phytochemistry and pharmacological review

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Applications of OR/ECD/VCD to the structure elucidation of natural products

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

The dihydro-beta-agarofuran sesquiterpenoids

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Antitumor agents. 228. five new agarofurans, Reissantins A-E, and cytotoxic principles from Reissantia buchananii.

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Mining genomes to illuminate the specialized chemistry of life

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Metabolomics and genomics in natural products research: complementary tools for targeting new chemical entities

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Method transfer for fast liquid chromatography in pharmaceutical analysis: application to short columns packed with small particle. Part II: gradient experiments

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1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Comparative Phytochemical and Antibacterial Screening of Important Medicinal Plants of Celastraceae

29 January 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Taggle: Combining overview and details in tabular data visualizations

4 February 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

A comparative evaluation of outlier detection algorithms: Experiments and analyses

4 February 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Triterpenoids mediate the antimicrobial, antioxidant, and anti-inflammatory activities of the stem bark of Reissantia indica

4 February 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.3389/FMOLB.2022.1028334

Biodiversity and Sustainability

4 February 2023

1 reference

https://opencitations.net/index/api/v1/references/10.3389/FMOLB.2022.1028334

10.3389/FMOLB.2022.1028334

12 April 2024

Identifiers

DOI

1 reference

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