scholarly article | Q13442814 |
P356 | DOI | 10.1039/C3NP70101H |
P698 | PubMed publication ID | 24752343 |
P50 | author | Sebastian Böcker | Q63208429 |
Franziska Hufsky | Q64358327 | ||
Kerstin Scheubert | Q116687755 | ||
P2860 | cites work | False discovery rates in spectral identification | Q34486788 |
MetFusion: integration of compound identification strategies | Q34620986 | ||
TOPOLOGICAL MAPPING OF ORGANIC MOLECULES. | Q36372308 | ||
MS/MS networking guided analysis of molecule and gene cluster families. | Q37010777 | ||
Innovation: Metabolomics: the apogee of the omics trilogy | Q37995821 | ||
A new approach to evaluating statistical significance of spectral identifications | Q41527471 | ||
Fast alignment of fragmentation trees | Q42174883 | ||
antiSMASH: rapid identification, annotation and analysis of secondary metabolite biosynthesis gene clusters in bacterial and fungal genome sequences | Q42779012 | ||
Towards de novo identification of metabolites by analyzing tandem mass spectra | Q44805412 | ||
Substructure-based annotation of high-resolution multistage MS(n) spectral trees | Q48046275 | ||
Mass spectral metabonomics beyond elemental formula: chemical database querying by matching experimental with computational fragmentation spectra | Q48074398 | ||
Matching structures to mass spectra using fragmentation patterns: are the results as good as they look? | Q51838340 | ||
Molecules in Silico: The Generation of Structural Formulae and Its Applications | Q63351902 | ||
Mass Spectral Classifiers for Supporting Systematic Structure Elucidation† | Q99233907 | ||
Spectral similarity versus structural similarity: mass spectrometry | Q114868648 | ||
Computational mass spectrometry for small-molecule fragmentation | Q114872548 | ||
In silico fragmentation for computer assisted identification of metabolite mass spectra | Q21284354 | ||
Computational mass spectrometry for small molecules | Q27703094 | ||
Optimization and testing of mass spectral library search algorithms for compound identification | Q27807493 | ||
Identifying the Unknowns by Aligning Fragmentation Trees | Q28530233 | ||
Advances in structure elucidation of small molecules using mass spectrometry | Q28743720 | ||
Mass spectral molecular networking of living microbial colonies | Q30519465 | ||
FiD: a software for ab initio structural identification of product ions from tandem mass spectrometric data | Q33365583 | ||
On the inter-instrument and the inter-laboratory transferability of a tandem mass spectral reference library: 2. Optimization and characterization of the search algorithm | Q33400813 | ||
On the inter-instrument and inter-laboratory transferability of a tandem mass spectral reference library: 1. Results of an Austrian multicenter study. | Q33402532 | ||
Computational mass spectrometry for metabolomics: identification of metabolites and small molecules | Q33714757 | ||
Computing fragmentation trees from tandem mass spectrometry data | Q33779369 | ||
Cycloquest: identification of cyclopeptides via database search of their mass spectra against genome databases | Q33995951 | ||
Computing fragmentation trees from metabolite multiple mass spectrometry data | Q34060956 | ||
In silico identification software (ISIS): a machine learning approach to tandem mass spectral identification of lipids. | Q34271861 | ||
Mass spectral reference libraries: an ever-expanding resource for chemical identification | Q34339989 | ||
Metabolite identification and molecular fingerprint prediction through machine learning. | Q34344462 | ||
De novo analysis of electron impact mass spectra using fragmentation trees | Q34346807 | ||
P433 | issue | 6 | |
P921 | main subject | natural product | Q901227 |
informatics | Q4027615 | ||
P304 | page(s) | 807-817 | |
P577 | publication date | 2014-04-22 | |
P1433 | published in | Natural Product Reports | Q2376904 |
P1476 | title | New kids on the block: novel informatics methods for natural product discovery | |
P478 | volume | 31 |
Q114863683 | A map of mass spectrometry-based in silico fragmentation prediction and compound identification in metabolomics |
Q38765632 | Advanced tools in marine natural drug discovery |
Q114869419 | An overview of tools, software, and methods for natural product fragment and mass spectral analysis |
Q36065746 | Applied metabolomics in drug discovery |
Q36221106 | Batch-processing of imaging or liquid-chromatography mass spectrometry datasets and De Novo sequencing of polyketide siderophores |
Q38614529 | Bioactive natural products prioritization using massive multi-informational molecular networks |
Q52677567 | Bioactivity-Based Molecular Networking for the Discovery of Drug Leads in Natural Product Bioassay-Guided Fractionation. |
Q50954598 | Chemography of natural product space. |
Q38823592 | Comparative mass spectrometry-based metabolomics strategies for the investigation of microbial secondary metabolites |
Q57001336 | Computational Methodologies in the Exploration of Marine Natural Product Leads |
Q28975879 | Current approaches and challenges for the metabolite profiling of complex natural extracts |
Q38721280 | Deep metabolome annotation in natural products research: towards a virtuous cycle in metabolite identification |
Q57817576 | Dereplication strategies in natural product research: How many tools and methodologies behind the same concept? |
Q50752015 | Dereplication-guided isolation of novel hepatoprotective triterpenoid saponins from Celosiae Semen by high-performance liquid chromatography coupled with electrospray ionization tandem quadrupole-time-of-flight mass spectrometry. |
Q38409890 | Dereplication: racing to speed up the natural products discovery process. |
Q114865966 | FT‐ICR‐MS‐based metabolomics: A deep dive into plant metabolism |
Q33683260 | FlavonoidSearch: A system for comprehensive flavonoid annotation by mass spectrometry |
Q62048598 | Fragmentation Trees Reloaded |
Q105826365 | Global chemical analysis of biology by mass spectrometry |
Q114836340 | Gut microbiota-related metabolome analysis based on chromatography-mass spectrometry |
Q114866623 | High resolution mass spectrometry for structural identification of metabolites in metabolomics |
Q53102353 | Hybrid MS/NMR methods on the prioritization of natural products: Applications in drug discovery. |
Q29994570 | Identification of small molecules using accurate mass MS/MS search |
Q41717132 | Improving natural products identification through targeted LC-MS/MS in an untargeted secondary metabolomics workflow. |
Q39993461 | Integration of Molecular Networking and In-Silico MS/MS Fragmentation for Natural Products Dereplication. |
Q123351374 | MAD HATTER Correctly Annotates 98% of Small Molecule Tandem Mass Spectra Searching in PubChem |
Q36413304 | MZmine 2 Data-Preprocessing To Enhance Molecular Networking Reliability. |
Q91643353 | Marine Bacteria from Rocas Atoll as a Rich Source of Pharmacologically Active Compounds |
Q30853422 | Mass spectrometry tools and workflows for revealing microbial chemistry |
Q38817480 | Medicinal Bioprospecting of the Amazon Rainforest: A Modern Eldorado? |
Q114864166 | Metabolomics and genomics in natural products research: complementary tools for targeting new chemical entities |
Q35297297 | Metabolonote: a wiki-based database for managing hierarchical metadata of metabolome analyses |
Q38459251 | Microbial communication leading to the activation of silent fungal secondary metabolite gene clusters. |
Q31036754 | Mining molecular structure databases: Identification of small molecules based on fragmentation mass spectrometry data |
Q38885338 | Modern mass spectrometry for synthetic biology and structure-based discovery of natural products. |
Q36200942 | Natural products as mediators of disease. |
Q53950685 | Novel water-soluble lignin derivative BP-Cx-1: identification of components and screening of potential targets in silico and in vitro. |
Q38648866 | Optimized experimental workflow for tandem mass spectrometry molecular networking in metabolomics |
Q52580602 | Propagating annotations of molecular networks using in silico fragmentation. |
Q47612528 | Quantum Chemical Fragment Precursor Tests: Accelerating de novo annotation of tandem mass spectra. |
Q114866593 | Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines |
Q31151444 | Searching molecular structure databases using tandem MS data: are we there yet? |
Q56889965 | Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics |
Q38710256 | Strategies for target identification of antimicrobial natural products |
Q52841130 | Structure of olefin-imidacloprid and gas-phase fragmentation chemistry of its protonated form. |
Q102056105 | Studying Charge Migration Fragmentation of Sodiated Precursor Ions in Collision-Induced Dissociation at the Library Scale |
Q90937089 | Targeted Isolation of Neuroprotective Dicoumaroyl Neolignans and Lignans from Sageretia theezans Using in Silico Molecular Network Annotation Propagation-Based Dereplication |
Q35763941 | Targeting the Hedgehog Signaling Pathway with Small Molecules from Natural Sources |
Q34459318 | The re-emergence of natural products for drug discovery in the genomics era. |
Q47698067 | Transformation of the gas-phase favored O-protomer of p-aminobenzoic acid to its unfavored N-protomer by ion activation in the presence of water vapor: an ion-mobility mass spectrometry study. |
Q29048606 | Trends in the application of high-resolution mass spectrometry for human biomonitoring: An analytical primer to studying the environmental chemical space of the human exposome |
Q52331588 | Unequivocal determination of caulamidines A and B: application and validation of new tools in the structure elucidation tool box. |
Q47689327 | Using In Silico Fragmentation to Improve Routine Residue Screening in Complex Matrices. |
Q90427802 | Using MS-FINDER for identifying 19 natural products in the CASMI 2016 contest |
Q35715135 | Using fragmentation trees and mass spectral trees for identifying unknown compounds in metabolomics |
Search more.