Metabolite identification and molecular fingerprint prediction through machine learning.
about
MetFrag relaunched: incorporating strategies beyond in silico fragmentationMINEs: open access databases of computationally predicted enzyme promiscuity products for untargeted metabolomicsComputational mass spectrometry for small moleculesFragmentation trees reloadedCASMI: And the Winner is . .Stronger findings from mass spectral data through multi-peak modelingExtending P450 site-of-metabolism models with region-resolution data.Mining molecular structure databases: Identification of small molecules based on fragmentation mass spectrometry data.FlavonoidSearch: A system for comprehensive flavonoid annotation by mass spectrometryFrom chromatogram to analyte to metabolite. How to pick horses for courses from the massive web-resources for mass spectral plant metabolomicsMPINet: metabolite pathway identification via coupling of global metabolite network structure and metabolomic profile.Unraveling biochemical pathways affected by mitochondrial dysfunctions using metabolomic approaches.New kids on the block: novel informatics methods for natural product discovery.Using fragmentation trees and mass spectral trees for identifying unknown compounds in metabolomics.Discriminating precursors of common fragments for large-scale metabolite profiling by triple quadrupole mass spectrometryIlluminating the dark matter in metabolomicsSearching molecular structure databases with tandem mass spectra using CSI:FingerID.Natural products as mediators of disease.Dereplication: racing to speed up the natural products discovery process.Molecular Formula Identification with SIRIUS.Fast metabolite identification with Input Output Kernel RegressionIntroduction to Cheminformatics.Metabolite identification through multiple kernel learning on fragmentation trees.Navigating freely-available software tools for metabolomics analysis.CFM-ID: a web server for annotation, spectrum prediction and metabolite identification from tandem mass spectra.Metabolite Identification through Machine Learning- Tackling CASMI Challenge Using FingerIDHigh precision mass measurements for wine metabolomicsMolecular Formula Identification Using Isotope Pattern Analysis and Calculation of Fragmentation Trees.Meta-mass shift chemical profiling of metabolomes from coral reefs.Annotation: A Computational Solution for Streamlining Metabolomics Analysis.A tutorial in small molecule identification via electrospray ionization-mass spectrometry: The practical art of structural elucidation.Machine Learning Methods for Analysis of Metabolic Data and Metabolic Pathway Modeling.Bayesian networks for mass spectrometric metabolite identification via molecular fingerprints.SIMPLE: Sparse Interaction Model over Peaks of moLEcules for fast, interpretable metabolite identification from tandem mass spectra.Software Tools and Approaches for Compound Identification of LC-MS/MS Data in MetabolomicsComputational Methodologies in the Exploration of Marine Natural Product Leads
P2860
Q27702197-754B466A-EFE1-42D4-8BDF-F20A2C4EC9D4Q27702925-D586576F-F8D3-4215-B32E-F42CE0D76307Q27703094-421F61C7-8D9D-4AF2-9BE3-693DF9C1EE75Q27902332-A2836272-4011-48BF-9683-AD6487296ABAQ28660148-B82383E7-5DD4-4863-984E-455745ADD7E1Q30832284-68F885B0-D1DF-4966-B193-AAF38D3FEA75Q30895940-C58089D7-287C-452F-A838-9C826F106FA2Q31036754-3E130BE9-91A9-4472-90D8-9BBBB0D96659Q33683260-35F063FF-FA9D-4EE9-A660-B3067E431452Q33879028-04C239D8-4948-41A0-9688-2D5F5FF3617AQ33892898-43F3089C-BEA8-484B-94AF-671FD10207BCQ34318248-E54F3653-F766-43FE-92A7-5A60CEC0A644Q35154173-4582AD20-29E4-4A98-A3FE-A43893D056C0Q35715135-41839AEA-7DB8-4EE2-B806-07DD969DFC5FQ35784927-D3BED317-365B-41E1-B462-584089411D76Q36179188-431D80ED-57E2-4299-BE8D-7F4B9AAD3194Q36179301-48926E10-65DB-4935-A5F6-9AFAF2A0EFA1Q36200942-106FD560-C6A7-448A-BE22-F4FDD1F208B4Q38409890-75F69F56-ACD4-4831-9380-A15528247AA0Q39496250-B78FF9B8-706B-490B-B50C-49017A41EFC4Q39679889-DF954833-25B9-413B-A81E-98CFE3F65F37Q39892203-6C6B32B1-3C7A-466B-9B86-E2124CF0A89BQ40750458-A4A84953-F0E9-40D1-9BC6-12CAAFDB0737Q41332699-20DF69F1-E661-4A8B-A00C-CAE5369483D4Q41861014-836FD30D-5458-4E9A-884F-F6178EC1D394Q41889850-5B487EB4-A3DE-4D4D-960B-3AD937C03E03Q42156293-8C0A640E-E0F8-42EE-A3A0-4F4C3BE18F2DQ43138295-0E106C2B-0240-4113-B3EE-F05E35CBC1DCQ43675104-30A679BA-0E86-49AD-9A6F-D00041699C76Q45982135-AD98A8AB-54FF-44DF-ADE8-FEB3DE408033Q47614283-BB290E41-A596-448D-B6D9-10C943FA0106Q48507473-A359D84F-47EF-4CFA-8129-BB7DF5D773E7Q55514177-C83F5E79-4F4E-483E-BCE8-CF4CAD884B48Q55514186-CB4C5FFA-C8B5-4723-AF50-9512E64124B1Q56889965-07A51E9E-AB20-4620-BF7C-4BCC38881D4BQ57001336-41B221DC-96C0-4741-B6D2-8AD92C28B2A6
P2860
Metabolite identification and molecular fingerprint prediction through machine learning.
description
2012 nî lūn-bûn
@nan
2012 թուականի Յուլիսին հրատարակուած գիտական յօդուած
@hyw
2012 թվականի հուլիսին հրատարակված գիտական հոդված
@hy
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
name
Metabolite identification and molecular fingerprint prediction through machine learning.
@ast
Metabolite identification and molecular fingerprint prediction through machine learning.
@en
Metabolite identification and molecular fingerprint prediction through machine learning.
@nl
type
label
Metabolite identification and molecular fingerprint prediction through machine learning.
@ast
Metabolite identification and molecular fingerprint prediction through machine learning.
@en
Metabolite identification and molecular fingerprint prediction through machine learning.
@nl
prefLabel
Metabolite identification and molecular fingerprint prediction through machine learning.
@ast
Metabolite identification and molecular fingerprint prediction through machine learning.
@en
Metabolite identification and molecular fingerprint prediction through machine learning.
@nl
P2093
P2860
P356
P1433
P1476
Metabolite identification and molecular fingerprint prediction through machine learning
@en
P2093
Huibin Shen
Juho Rousu
Markus Heinonen
P2860
P304
P356
10.1093/BIOINFORMATICS/BTS437
P407
P577
2012-07-18T00:00:00Z