Venkata Chandrasekhar Nainala
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View article: nmrXiv enhances the utility of NMR spectroscopic data of natural products
nmrXiv enhances the utility of NMR spectroscopic data of natural products Open
View article: Cheminformatics Microservice V-3: A Web Portal for Chemical Structure Manipulation and Analysis
Cheminformatics Microservice V-3: A Web Portal for Chemical Structure Manipulation and Analysis Open
The widespread adoption of open-source cheminformatics toolkits remains constrained by technical implementation barriers, including complex installation procedures, dependency management, and integration challenges. Here, we present Chemin…
View article: COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database
COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database Open
The COCONUT (COlleCtion of Open Natural prodUcTs) database was launched in 2021 as an aggregation of openly available natural product datasets and has been one of the biggest open natural product databases since. Apart from the chemical st…
View article: COCONUT 2.0: A comprehensive overhaul and curation of the collection of open natural products database
COCONUT 2.0: A comprehensive overhaul and curation of the collection of open natural products database Open
The COCONUT (COlleCtion of Open Natural prodUcTs) database was launched in 2021 as an aggregation of openly available natural product datasets and has been one of the biggest open natural product databases since. Apart from the chemical st…
View article: COCONUT 2.0: A comprehensive overhaul and curation of the collection of open natural products database
COCONUT 2.0: A comprehensive overhaul and curation of the collection of open natural products database Open
The COCONUT (COlleCtion of Open Natural prodUcTs) database was launched in 2021 as an aggregation of openly available natural product datasets and has been one of the biggest open natural product databases since. Apart from the chemical st…
View article: ISA API: An open platform for interoperable life science experimental metadata
ISA API: An open platform for interoperable life science experimental metadata Open
Background The Investigation/Study/Assay (ISA) Metadata Framework is an established and widely used set of open source community specifications and software tools for enabling discovery, exchange, and publication of metadata from experimen…
View article: ISA API: An open platform for interoperable life science experimental metadata
ISA API: An open platform for interoperable life science experimental metadata Open
Background The Investigation/Study/Assay (ISA) Metadata Framework is an established and widely used set of open-source community specifications and software tools for enabling discovery, exchange and publication of metadata from experiment…
View article: MetaboLights: a resource evolving in response to the needs of its scientific community
MetaboLights: a resource evolving in response to the needs of its scientific community Open
MetaboLights is a database for metabolomics studies, their raw experimental data and associated metadata. The database is cross-species and cross-technique and it covers metabolite structures and their reference spectra as well as their bi…
View article: Optimistic mirror descent in saddle-point problems: Going the extra (gradient) mile
Optimistic mirror descent in saddle-point problems: Going the extra (gradient) mile Open
International audience
View article: Automated assembly of species metabolomes through data submission into a public repository
Automated assembly of species metabolomes through data submission into a public repository Open
Following similar global efforts to exchange genomic and other biomedical data, global databases in metabolomics have now been established. MetaboLights, the first general purpose, publically available, cross-species, cross-application dat…
View article: SPLASH, a hashed identifier for mass spectra
SPLASH, a hashed identifier for mass spectra Open