Connection of glycoinformatics databases with Pubchem

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F18%3A00108837" target="_blank" >RIV/00216224:14740/18:00108837 - isvavai.cz</a>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Connection of glycoinformatics databases with Pubchem

Popis výsledku v původním jazyce

Nowadays, information about structure of organic molecules and proteins is stored in general databases and described via common data formats. Unfortunately, glycoinformatics databases are isolated and use specialised data formats. For better work with interesting data stored in these databases, it is necessary to link together information from these specialized databases with general-purpose database. Among such specialised databases belong for example GlyConnect and UnicarbKB – databases of glycan structures, which utilise GlycoCT data format [1]. We developed a workflow for translation of GlycoCT format to common molecular formats SMILES, InChI and InChIKey. Based on these standard formats, we established a linkage between GlyConnect, UnicarbKB and PubChem [2] databases. We will present the workflow and information describing a matching between these databases.

Název v anglickém jazyce

Connection of glycoinformatics databases with Pubchem

Popis výsledku anglicky

Nowadays, information about structure of organic molecules and proteins is stored in general databases and described via common data formats. Unfortunately, glycoinformatics databases are isolated and use specialised data formats. For better work with interesting data stored in these databases, it is necessary to link together information from these specialized databases with general-purpose database. Among such specialised databases belong for example GlyConnect and UnicarbKB – databases of glycan structures, which utilise GlycoCT data format [1]. We developed a workflow for translation of GlycoCT format to common molecular formats SMILES, InChI and InChIKey. Based on these standard formats, we established a linkage between GlyConnect, UnicarbKB and PubChem [2] databases. We will present the workflow and information describing a matching between these databases.

Druh

O - Ostatní výsledky

CEP obor

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OECD FORD obor

10608 - Biochemistry and molecular biology

Projekt

<a href="/cs/project/LQ1601" target="_blank" >LQ1601: CEITEC 2020</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2018

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů