ZINC15 todo

Before the ZINC 15 release

http://band.desktop.ucsf.bkslab.org:8088/atccodes/L01A/substances.ldjson:zinc_id+preferred_name+atc_level5_codes

http://band.desktop.ucsf.bkslab.org:8088/atccodes/L01A/genes.ldjson:name+major_class_name+sub_class_name+atc_codes

asap

• oicr cancer_compounds, cancer_targets, clinical trials
• psicquic export

soon

• vendor detail page for chbr visit

when we can

• clean up [cH-] and [CH-] and others in substances, rings
• create patterns for all reactants and products
• count of bb patterns
• push retirements back below 10^8
• gene list and gene detail pages (TS)
• target class list and target class detail pages (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)