Connection of saccharide database UnicarbKb with common databases of molecular structures

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F17%3A00108802" target="_blank" >RIV/00216224:14740/17:00108802 - 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 saccharide database UnicarbKb with common databases of molecular structures

Popis výsledku v původním jazyce

Carbohydrates are important biomolecules, which play significant role in cell-cell recognition and other key biological processes. Thanks to high-performance structure determination methods, we have nowadays available a huge amount of biomolecular structures (including saccharides). These structures are archived in UnicarbKb [1] database, where they are stored in GlycoCT format [2] which was developed for describing of saccharide molecule. An important challenge of current glycobioinformatics is a connection of UnicarbKb with common databases of molecular structures (e.g., Pubchem [3]). We focused on this topic and developed a workflow for translation of GlycoCT format to SMILES and Inchi. Based on these standard formats, we established a linkage between Unicarb and Pubchem databases. We will present the workflow and also information describing a matching between these databases.

Název v anglickém jazyce

Connection of saccharide database UnicarbKb with common databases of molecular structures

Popis výsledku anglicky

Carbohydrates are important biomolecules, which play significant role in cell-cell recognition and other key biological processes. Thanks to high-performance structure determination methods, we have nowadays available a huge amount of biomolecular structures (including saccharides). These structures are archived in UnicarbKb [1] database, where they are stored in GlycoCT format [2] which was developed for describing of saccharide molecule. An important challenge of current glycobioinformatics is a connection of UnicarbKb with common databases of molecular structures (e.g., Pubchem [3]). We focused on this topic and developed a workflow for translation of GlycoCT format to SMILES and Inchi. Based on these standard formats, we established a linkage between Unicarb and Pubchem databases. We will present the workflow and also information describing a matching between these databases.

Druh

O - Ostatní výsledky

CEP obor

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OECD FORD obor

10201 - Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8)

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

2017

Kód důvěrnosti údajů

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