NMRShiftDB – compound identification and structure elucidation support through a free community-built web database
about
Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years onChemical Entities of Biological Interest: an updateLinking the Resource Description Framework to cheminformatics and proteochemometricsRecent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and BioinformaticsSeven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry“Ask Ernö”: a self-learning tool for assignment and prediction of nuclear magnetic resonance spectraHow Large Is the Metabolome? A Critical Analysis of Data Exchange Practices in ChemistryMany InChIs and quite some featOrChem - An open source chemistry search engine for Oracle(R)Systematic NMR analysis of stable isotope labeled metabolite mixtures in plant and animal systems: coarse grained views of metabolic pathwaysBuilding blocks for automated elucidation of metabolites: natural product-likeness for candidate rankingOpen-access metabolomics databases for natural product research: present capabilities and future potential.Dealing with the Data Deluge: Handling the Multitude Of Chemical Biology Data Sources.MS-DOCK: accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening.Building blocks for automated elucidation of metabolites: machine learning methods for NMR predictionCYANOS: a data management system for natural product drug discovery efforts using cultured microorganisms.Screening Specific Biomarkers of Herbs Using a Metabolomics Approach: A Case Study of Panax ginseng.Hierarchical alignment and full resolution pattern recognition of 2D NMR spectra: application to nematode chemical ecology.Extending biochemical databases by metabolomic surveys.Web-based Arabidopsis functional and structural genomics resources.NMR spectroscopic search module for Spektraris, an online resource for plant natural product identification--Taxane diterpenoids from Taxus × media cell suspension cultures as a case studyCurrent status and prospects of computational resources for natural product dereplication: a review.Identification of organic molecules from a structure database using proton and carbon NMR analysis results.Online tools for bioinformatics analyses in nutrition sciences.Dereplication: racing to speed up the natural products discovery process.Tutorial for the structure elucidation of small molecules by means of the LSD software.Computer-aided Dereplication and Structure Elucidation of Natural Products at the University of Reims.Integrative Approaches for the Identification and Localization of Specialized Metabolites in Tripterygium Roots.Introduction to Cheminformatics.From chemical shift data through prediction to assignment and NMR LIMS - multiple functionalities of nmrshiftdb2.Simulation of NMR chemical shifts in heterocycles: a method evaluation.Application of kernel principal component analysis and computational machine learning to exploration of metabolites strongly associated with diet.Collaborative Cheminformatics ApplicationsEine offene NMR-DatenbankData Processing, Metabolomic Databases and Pathway AnalysisComputational metabolomics – a field at the boundaries of cheminformatics and bioinformaticsThe importance of hyphenated techniques in the discovery of new lead compounds from nature
P2860
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P2860
NMRShiftDB – compound identification and structure elucidation support through a free community-built web database
description
2004 nî lūn-bûn
@nan
2004 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2004 թվականի հոտեմբերին հրատարակված գիտական հոդված
@hy
2004年の論文
@ja
2004年論文
@yue
2004年論文
@zh-hant
2004年論文
@zh-hk
2004年論文
@zh-mo
2004年論文
@zh-tw
2004年论文
@wuu
name
NMRShiftDB – compound identifi ...... e community-built web database
@ast
NMRShiftDB – compound identifi ...... e community-built web database
@en
type
label
NMRShiftDB – compound identifi ...... e community-built web database
@ast
NMRShiftDB – compound identifi ...... e community-built web database
@en
prefLabel
NMRShiftDB – compound identifi ...... e community-built web database
@ast
NMRShiftDB – compound identifi ...... e community-built web database
@en
P3181
P1433
P1476
NMRShiftDB – compound identifi ...... e community-built web database
@en
P304
P3181
P356
10.1016/J.PHYTOCHEM.2004.08.027
P577
2004-10-01T00:00:00Z