SUCHÁNKOVÁ, Pavla and Radka SVOBODOVÁ VAŘEKOVÁ. Connection of glycoinformatics databases with Pubchem. In ENBIK. 2018. ISBN 978-80-7592-017-1.
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Basic information
Original name Connection of glycoinformatics databases with Pubchem
Name in Czech Propojení glycoinformatických databází s Pubchem
Authors SUCHÁNKOVÁ, Pavla (203 Czech Republic, belonging to the institution) and Radka SVOBODOVÁ VAŘEKOVÁ (203 Czech Republic, belonging to the institution).
Edition ENBIK, 2018.
Other information
Original language English
Type of outcome Conference abstract
Field of Study 10608 Biochemistry and molecular biology
Country of publisher Czech Republic
Confidentiality degree is not subject to a state or trade secret
RIV identification code RIV/00216224:14740/18:00108837
Organization unit Central European Institute of Technology
ISBN 978-80-7592-017-1
Keywords (in Czech) Glykoinformatika; konverze formátů; PubChem
Keywords in English Glycoinformatics; format conversion; PubChem
Tags rivok
Changed by Changed by: Mgr. Pavla Foltynová, Ph.D., učo 106624. Changed: 26/3/2020 16:44.
Abstract
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.
Links
LQ1601, research and development projectName: CEITEC 2020 (Acronym: CEITEC2020)
Investor: Ministry of Education, Youth and Sports of the CR
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