Psicquic channels: Difference between revisions
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* 2. nearest metabolite, drug, biogenic, purchasable | * 2. nearest metabolite, drug, biogenic, purchasable | ||
* NB not supported at our client, but we can still prepare for it | * NB not supported at our client, but we can still prepare for it | ||
= how to restart the server = | |||
* become root on zeta | |||
* create screen and su to psicquic | |||
* cd psicquic-solr-ws-1.3.13 (or latest) | |||
* bash startPsicquicServerAndSolr.sh /home/psicquic/solr11 ( to start server) | |||
* optional: to rebuild data: bash indexMitab.sh /home/psicquic/channel2a.txt /home/psicquic/solr/ | |||
[[Category:ZINC15]] | [[Category:ZINC15]] | ||
[[Category:Psicquic]] | [[Category:Psicquic]] | ||
[[Category:Reactome]] | [[Category:Reactome]] | ||
Revision as of 00:14, 14 February 2017
Target-Target Channels (tt)
- 1. Sea prediction (T-T) (swissprot to swissprot)
- 2. blast similarity (Evalue)
- 3. co-expression data from Matt (100 to 0 percentile rank)
- 4. shared ligand, 1uM or better
- 5. PPI (biogrid, experimental)
Target-Compound Channels (ct)
- 1. Experimental binder, is bioactive and binds 1uM or better per chembl20 (chebi name to swissprot name)
- 2. is a drug and binds target 10uM or better
- 3. Is biogenic and binding 1uM or better
- 4. is and endogenous metabolite for this target
- 5. SEA prediction (TC, P-value) (chebi to swissprot)
= Compound-Compound Channels (cc)
- 1. EBI compound (chebi) to ZINC (zincid)
- 2. nearest metabolite, drug, biogenic, purchasable
- NB not supported at our client, but we can still prepare for it
how to restart the server
- become root on zeta
- create screen and su to psicquic
- cd psicquic-solr-ws-1.3.13 (or latest)
- bash startPsicquicServerAndSolr.sh /home/psicquic/solr11 ( to start server)
- optional: to rebuild data: bash indexMitab.sh /home/psicquic/channel2a.txt /home/psicquic/solr/