ZINC15 todo

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Before the ZINC 15 release

asap

  • unwind retirements to pre-10^8 numbers (TS)
  • target class in gene area (JI)

must haves

  • gene list and gene detail pages (TS)
  • target class list and target class detail pages (TS)
  • search page (TS)
  • catalog and catalog list pages (TS)
  • target list and target detail pages (TS)
  • batch job mechanism (TS)

problems

  • check isotope flattening correct (JI)
  • check for last non-neutralized smiles (JI)
  • check IH? (JI)
  • 1450 cmpds that need update or removal (JI)
  • caps/smalls on gene name (JI)
  • SEA reprocess (JI)


like to have

  • reactome (JI)
  • PAINS process/load (JI)
  • cronjob rebuild of 201,202, 203, 211,212,213,216,220 saturday (JI)
  • re-export Sunday (JI)
  • recalculate FPs (TS)
  • clustering by gene (JI)
  • weekly reorganation of FPs into three classes (bioactive, purchasable, inactive) (JI,TS)
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