NP-StructurePredictor statistics

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Citations per year

Number of citations per year for the bioinformatics software tool NP-StructurePredictor
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Tool usage distribution map

This map represents all the scientific publications referring to NP-StructurePredictor per scientific context
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Protocols

NP-StructurePredictor specifications

Information


Unique identifier OMICS_24411
Name NP-StructurePredictor
Software type Application/Script
Interface Command line interface
Restrictions to use None
Input data Targeted molecular weights calculated from a list of m/z values from LC-MS experiments.
Output data A list of possible compounds matching that targeted MW, where resulting compounds are ranked according to their calculated probability of occurrence in nature.
Operating system Unix/Linux
Programming languages Java
Computer skills Advanced
Stability Stable
Maintained Yes

Versioning


No version available

Maintainer


  • person_outline Yufeng Tseng

Publication for NP-StructurePredictor

NP-StructurePredictor citation

call_split

G.A.M.E.: GPU accelerated mixture elucidator

2017
J Cheminform
PMCID: 5602814
PMID: 29086161
DOI: 10.1186/s13321-017-0238-7
call_split See protocol

[…] of possible candidates in mixtures and their relative rankings will be provided. In the previous studies, four Chinese herb mixtures with verified structures were used to validate the accuracy of the NP-StructurePredictor system. Since G.A.M.E. is a new GPU programming version of the previous system with the same architecture, we will only focus on the improved time performance of the system in th […]


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NP-StructurePredictor institution(s)
Graduate Institute of Networking and Multimedia, National Taiwan University, Taipei, Taiwan; The Metabolomics Core Laboratory, NTU Center of Genomic Medicine, Taipei, Taiwan; Department of Computer Science and Information Engineering, National Taiwan University, Taipei, Taiwan; Medical and Pharmaceutical Industry Technology and Development Center, New Taipei City, Taiwan; Graduate Institute of Biomedical Electronic and Bioinformatics, National Taiwan University, Taipei, Taiwan; Drug Research Center, National Taiwan University College of Medicine, Taipei, Taiwan
NP-StructurePredictor funding source(s)
Supported by the Ministry of Science and Technology, Taiwan, grant 616 numbers 105-3011-F-002-010 -, 105-2812-8-002-001-MY2, and 106-2622-B-002- 617 008 -, and National Taiwan University, grant number NTU-ERP-106R880803.

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