Find­ing your path through net­work complexity

Map­ping Result File Content

In this file, the term “biosource” refers to a sin­gle net­work. Each Biosource is iden­ti­fied by a unique iden­ti­fier: it’s idMysql.

Result files are in JSON for­mat. Each entry rep­re­sents the map­ping of a sin­gle biosource with the Chem­i­cal library used.

Below are the def­i­n­i­tion of each attrib­utes present in the files. They are grouped by the nature of the infor­ma­tion they provide.

Gen­eral biosource information:

  • orgName

Name of the organism

  • strain

Strain of the cell/​organism of the biosource

  • type

Type of import used to gen­er­ate the biosource

  • ver­sion

ver­sion num­ber or date of the biosource

  • name­BioSource

Name of the biosource

  • source

Source data­base of the biosource, this informs us of the ori­gin of the biosource

  • idMysql

Id MySQL of the biosource

Biosource metabolome infor­ma­tion

  • Total­N­u­mInchi /​Total­N­u­mInchiKey

Total num­ber of unique InChIs /​InChIKeys present in the biosource

  • Num­berOfMetabolitwith­Inchi /​Num­berOfMetabolitwith­Inchikey

Num­ber of metabo­lites in the biosource which has an InChI /​InChIKey

  • Num­berOfMetabolit­In­Biosource

Total num­ber of metabo­lite mapped in the net­work, this counts dupli­cate metabo­lites due to compartmentalisation.

Map­ping result

  • Per­centOfInchI­in­BioSourceMapped /​Per­centOfInchIKey­in­BioSourceMapped

Per­cent­age of unique InChIs /​InChIKeys present in the biosource mapped by the chem­i­cal Library

  • BioSource­Cov­er­age

Over­all Cov­er­age of the map­ping on the biosource

  • Mapped­Inchi /​Mapped­InchiKey

num­ber of unique InChI /​InChIKey mapped by the Chem­i­cal Library

  • Per­centChem­i­cal­Libp­re­sentIn­Biosource

Per­cent­age of unique InChIs /​InChIKeys present in the net­work found in the chem­i­cal library

  • Num­berOfMetabo­liteMapped

Total num­ber of metabo­lite mapped in the biosource, this counts dupli­cate metabo­lites with compartimentalisation

  • Met­ex­plor­eI­dMap­ping

Id MySQL of the map­ping, this will allow to retrieve infor­ma­tion on mapped metabo­lites for futur analysis