ZINC15 todo
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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/L01B/substances.ldjson:zinc_id+preferred_name+atc_level5_codes http://band.desktop.ucsf.bkslab.org:8088/atccodes/L01C/substances.ldjson:zinc_id+preferred_name+atc_level5_codes http://band.desktop.ucsf.bkslab.org:8088/atccodes/L01D/substances.ldjson:zinc_id+preferred_name+atc_level5_codes http://band.desktop.ucsf.bkslab.org:8088/atccodes/L01X/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 http://band.desktop.ucsf.bkslab.org:8088/atccodes/L01B/genes.ldjson:name+major_class_name+sub_class_name http://band.desktop.ucsf.bkslab.org:8088/atccodes/L01C/genes.ldjson:name+major_class_name+sub_class_name http://band.desktop.ucsf.bkslab.org:8088/atccodes/L01D/genes.ldjson:name+major_class_name+sub_class_name http://band.desktop.ucsf.bkslab.org:8088/atccodes/L01X/genes.ldjson:name+major_class_name+sub_class_name
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)