| scholarly article | Q13442814 |
| P6179 | Dimensions Publication ID | 1169013376 |
| P356 | DOI | 10.1021/ACSCENTSCI.3C00800 |
| P953 | full work available at URL | https://pubs.acs.org/doi/pdf/10.1021/acscentsci.3c00800 |
| P10283 | OpenAlex ID | W4391957298 |
| P932 | PMC publication ID | 10979503 |
| P8299 | Semantic Scholar corpus ID | 263313465 |
| P4011 | Semantic Scholar paper ID | 01d0cc4b77304c1f974ff0db2b8f096586488d09 |
| P7228 | access restriction status | open access | Q232932 |
| P7137 | acknowledged | Federal Ministry of Education and Research | Q492234 |
| Laboratoires Pierre Fabre | Q626597 | ||
| Ministry of Foreign Affairs of the Netherlands | Q1037495 | ||
| Drugs for Neglected Diseases Initiative | Q2717504 | ||
| P50 | author | Antonio Grondin | Q116245496 |
| Jean-Robert Ioset | Q124670633 | ||
| Marcel Kaiser | Q30347237 | ||
| Luis Quirós-Guerrero | Q104071610 | ||
| Bruno David | Q110950839 | ||
| Jean-Luc Wolfender | Q56084663 | ||
| Pierre-Marie Allard | Q56451301 | ||
| Florence Mehl | Q58856504 | ||
| Emerson Ferreira Queiroz | Q87644493 | ||
| Luca Cappelletti | Q95661345 | ||
| Adriano Rutz | Q97455964 | ||
| Sébastien Moretti | Q42233018 | ||
| Laurence Marcourt | Q43275441 | ||
| Marco Pagni | Q47097366 | ||
| Arnaud Gaudry | Q55085984 | ||
| P2860 | cites work | MEMO: Mass Spectrometry-Based Sample Vectorization to Explore Chemodiverse Datasets | Q111601978 |
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| Universal Spectrum Identifier for mass spectra | Q114953382 | ||
| Isolation and characterization of pristimerin as the antiplasmodial and antileishmanial agent of Maytenus senegalensis (Lam.) Exell. | Q115949731 | ||
| Open and reusable annotated mass spectrometry dataset of a chemodiverse collection of 1,600 plant extracts | Q116245417 | ||
| Trapping‐Enrichment Multi‐dimensional Liquid Chromatography with On‐Line Deuterated Solvent Exchange for Streamlined Structure Elucidation at the Microgram Scale | Q127060110 | ||
| A NEW FLUOROMETRIC ASSAY FOR CYTOTOXICITY MEASUREMENTS IN-VITRO | Q127060112 | ||
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| Bio-SODA UX: enabling natural language question answering over knowledge graphs with user disambiguation | Q127060122 | ||
| Cultivation in a semi-defined medium of animal infective forms of Trypanosoma brucei, T. equiperdum, T. evansi, T. rhodesiense and T. gambiense. | Q128791915 | ||
| Synthesis of phylogeny and taxonomy into a comprehensive tree of life | Q21714372 | ||
| Cytoscape: a software environment for integrated models of biomolecular interaction networks | Q24515682 | ||
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| MZmine 2: modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data | Q27136473 | ||
| MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysis | Q27807488 | ||
| Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking | Q27818844 | ||
| ClassyFire: automated chemical classification with a comprehensive, computable taxonomy | Q27902281 | ||
| ChEMBL: a large-scale bioactivity database for drug discovery | Q28315179 | ||
| ChEMBL web services: streamlining access to drug discovery data and utilities | Q28647641 | ||
| XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification | Q29616057 | ||
| Mass spectral molecular networking of living microbial colonies | Q30519465 | ||
| Pure compound libraries; a new perspective for natural product based drug discovery | Q30699667 | ||
| ReDU: a framework to find and reanalyze public mass spectrometry data | Q98513836 | ||
| Feature-based molecular networking in the GNPS analysis environment | Q98665248 | ||
| Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra | Q102369470 | ||
| Studies on terpenoids and steroids. Part 10. Structures of four new natural phenol is D:A-friedo-24-noroleanane triterpenoids | Q104393001 | ||
| Visualization of very large high-dimensional data sets as minimum spanning trees | Q106856815 | ||
| UMAP: Uniform Manifold Approximation and Projection | Q107272666 | ||
| Spec2Vec: Improved mass spectral similarity scoring through learning of structural relationships | Q108126799 | ||
| Advancements in capturing and mining mass spectrometry data are transforming natural products research | Q108844055 | ||
| High-confidence structural annotation of metabolites absent from spectral libraries | Q109715913 | ||
| NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products | Q110391628 | ||
| OpenTree: A Python Package for Accessing and Analyzing Data from the Open Tree of Life | Q111149904 | ||
| GNPS Dashboard: collaborative exploration of mass spectrometry data in the web browser | Q111441830 | ||
| A knowledge graph to interpret clinical proteomics data | Q111509846 | ||
| The pharmaceutical industry and natural products: historical status and new trends | Q58856029 | ||
| SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information | Q63352058 | ||
| Wikidata: A large-scale collaborative ontological medical database | Q68471881 | ||
| Respiratory control in mitochondria from Trypanosoma cruzi | Q69914799 | ||
| Rotenone at high concentrations inhibits NADH-fumarate reductase and the mitochondrial respiratory chain of Trypanosoma brucei and T. cruzi | Q74773675 | ||
| Potentially cytotoxic triterpenoids from the root bark of Siphonodon celastrineus Griff | Q81882965 | ||
| Wikidata as a knowledge graph for the life sciences | Q87830400 | ||
| Cytotoxic Triterpenes from Salacia crassifolia and Metabolite Profiling of Celastraceae Species | Q89170532 | ||
| Troubleshooting in Large-Scale LC-ToF-MS Metabolomics Analysis: Solving Complex Issues in Big Cohorts | Q90946288 | ||
| Taxonomically Informed Scoring Enhances Confidence in Natural Products Annotation | Q91218352 | ||
| Innovative omics-based approaches for prioritisation and targeted isolation of natural products - new strategies for drug discovery | Q91903041 | ||
| Mass spectrometry searches using MASST | Q92365644 | ||
| Utility of dry load injection for an efficient natural products isolation at the semi-preparative chromatographic scale | Q92705165 | ||
| Plate-based diversity selection based on empirical HTS data to enhance the number of hits and their chemical diversity | Q33468796 | ||
| Property distributions: differences between drugs, natural products, and molecules from combinatorial chemistry | Q34172646 | ||
| Small molecules of different origins have distinct distributions of structural complexity that correlate with protein-binding profiles | Q34279373 | ||
| Efficient technique for screening drugs for activity against Trypanosoma cruzi using parasites expressing beta-galactosidase | Q35129381 | ||
| Cheminformatic comparison of approved drugs from natural product versus synthetic origins | Q36167128 | ||
| Searching molecular structure databases with tandem mass spectra using CSI:FingerID. | Q36179301 | ||
| Bioactive natural products prioritization using massive multi-informational molecular networks | Q38614529 | ||
| One Step Forward for Reducing False Positive and False Negative Compound Identifications from Mass Spectrometry Metabolomics Data: New Algorithms for Constructing Extracted Ion Chromatograms and Detecting Chromatographic Peaks. | Q38655770 | ||
| Chemical constituents from Waltheria indica exert in vitro activity against Trypanosoma brucei and T. cruzi. | Q38864380 | ||
| A comparison of three methods of estimating EC50 in studies of drug resistance of malaria parasites | Q39085081 | ||
| The Alamar Blue® assay to determine drug sensitivity of African trypanosomes (T.b. rhodesiense and T.b. gambiense) in vitro | Q39416311 | ||
| Integration of Molecular Networking and In-Silico MS/MS Fragmentation for Natural Products Dereplication. | Q39993461 | ||
| Antifungal Quinoline Alkaloids from Waltheria indica | Q40020934 | ||
| A new rapid and simple non-radioactive assay to monitor and determine the proliferation of lymphocytes: an alternative to [3H]thymidine incorporation assay | Q41474027 | ||
| Systematic integration of biomedical knowledge prioritizes drugs for repurposing | Q42255083 | ||
| Bisnortriterpenes from Salacia madagascariensis | Q43948141 | ||
| Antiprotozoal activity of quinonemethide triterpenes from Maytenus ilicifolia (Celastraceae). | Q46081991 | ||
| A simple colorimetric method to screen drug cytotoxicity against Leishmania using the dye Alamar Blue | Q50506555 | ||
| Natural product-likeness score and its application for prioritization of compound libraries | Q51899910 | ||
| New culture medium for maintenance of tsetse tissues and growth of trypanosomatids | Q52434329 | ||
| Propagating annotations of molecular networks using in silico fragmentation | Q52580602 | ||
| Sachem: a chemical cartridge for high-performance substructure search. | Q55016200 | ||
| P275 | copyright license | Creative Commons Attribution 4.0 International | Q20007257 |
| P6216 | copyright status | copyrighted | Q50423863 |
| P4510 | describes a project that uses | Wikidata | Q2013 |
| liquid chromatography–mass spectrometry | Q873864 | ||
| ChEMBL | Q6120337 | ||
| RDFLib | Q7276224 | ||
| NMR spectroscopy | Q10359898 | ||
| Python | Q28865 | ||
| NPClassifier | Q112144253 | ||
| MZmine | Q112189098 | ||
| msConvert | Q112506514 | ||
| SIRIUS | Q124358188 | ||
| Semantic Web | Q54837 | ||
| Open Tree of Life | Q22661281 | ||
| LOTUS | Q104225190 | ||
| Ontotext GraphDB | Q58425577 | ||
| P8324 | funder | Swiss National Science Foundation | Q471732 |
| P407 | language of work or name | English | Q1860 |
| P921 | main subject | data mining | Q172491 |
| software framework | Q271680 | ||
| liquid chromatography–mass spectrometry | Q873864 | ||
| natural product | Q901227 | ||
| drug discovery | Q1418791 | ||
| Pristimera indica | Q11075650 | ||
| Reissantia indica | Q17240574 | ||
| bioactive compound | Q17774539 | ||
| 11β-hydroxypristimerin | Q125208651 | ||
| celastrol methyl ester | Q27108073 | ||
| Zeylasteral | Q105027438 | ||
| knowledge graph | Q33002955 | ||
| P6954 | online access status | open access | Q232932 |
| P577 | publication date | 2024-02-20 | |
| P1433 | published in | ACS Central Science | Q27726586 |
| P1476 | title | A Sample-Centric and Knowledge-Driven Computational Framework for Natural Products Drug Discovery |
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