cheminfo / octochemdb

https://octochemdb.cheminfo.org/documentation/static/index.html
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Links to natural products sources #114

Closed RicardoSilvestr closed 1 year ago

RicardoSilvestr commented 1 year ago

Currently, in activesOrNaturals, we have the field "molecules" which appears like this:

    "molecules" : [
            DBRef("compounds", 44422529),
                         DBRef("compounds", 12454332)
        ]

In order to provide links to the original sources, it is necessary to modify the field as follows:

   molecules: [
    {
      ocl: {
        idCode: 'A',
        coordinates: 'AA',
      },
      sources: [DBRef('coconuts', 44422529), DBRef('lotuses', 12454332)],
    },
    {
      ocl: {
        idCode: 'B',
        coordinates: 'BB',
      },
      sources: [DBRef('gnps', 423436654), DBRef('npasses', 47875887)],
    },
  ]

"In terms of idCode, priority is given to those present in compounds."