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README.md

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@@ -7,34 +7,36 @@ via HTTP clients.
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### Files:
99

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* `.htaccess` - Apache config, associates handlers with filetypes.
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* `catalog.py`
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* `convertName2CID.py`
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* `drug_sim.R`
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* `fileupload.html`
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* `generalSearch_test1.py`
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* `generalSearch_test2.py`
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* `makePairs.R`
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* `odbc6.py`
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* `pathfinder_m.py`
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* `pathfinder_rank1_backup.py`
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* `pathfinder_rank2_backup.py`
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* `pathfinder_rank3_backup.py`
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* `pathfinder_rank5.py`
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* `pathfinder_rank_advanced.py`
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* `pathfinder_rank_backup.py`
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* `pathfinder_rank_backup_R.py`
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* `ppDrugTargetPrediction1.py`
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* `ppPairPrediction2.py`
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* `ppPairPrediction_local.py`
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* `prediction1.py`
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* `prediction2_backup.py`
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* `save_file.py`
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* `sbv.py`
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* `sendEmail.py`
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* `stats.R`
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* `sum_primes.py`
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* `test.py`
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|File|Usage|Comments|Runtime, Pre-processing, or Other|
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|---|---|---|---|
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|`.htaccess`|Apache config, associates handlers with filetypes.||Runtime|
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|`catalog.py`||||
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|`convertName2CID.py`||||
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|`drug_sim.R`||||
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|`fileupload.html`||||
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|`generalSearch_test1.py`||||
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|`generalSearch_test2.py`||||
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|`makePairs.R`|||Pre-processing|
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|`odbc6.py`|||Runtime|
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|`pathfinder_m.py`||||
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|`pathfinder_rank1_backup.py`||||
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|`pathfinder_rank2_backup.py`||||
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|`pathfinder_rank3_backup.py`||||
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|`pathfinder_rank5.py`||||
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|`pathfinder_rank_advanced.py`||||
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|`pathfinder_rank_backup.py`||||
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|`pathfinder_rank_backup_R.py`||||
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|`ppDrugTargetPrediction1.py`||||
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|`ppPairPrediction2.py`|||Runtime|
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|`ppPairPrediction_local.py`||||
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|`prediction1.py`||||
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|`prediction2_backup.py`||||
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|`save_file.py`|||Other|
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|`sbv.py`||||
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|`sendEmail.py`|||Other|
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|`stats.R`||||
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|`sum_primes.py`||||
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|`test.py`|||Other|
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### Dependencies:

sql/test.sql

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--
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-- Example queries as needed by odbc6.py.
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--
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SELECT gene_symbol, pref_name
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FROM c2b2r_chembl_08_target_dictionary
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WHERE UPPER(pref_name) = UPPER('Cellular retinoic acid-binding protein I')
@@ -27,7 +29,7 @@ WHERE md5(std_inchi) = md5('InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3')
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--
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SELECT *
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FROM c2b2r_compound_new
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WHERE cid='5591'
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WHERE cid = '5591'
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;
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--
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SELECT openeye_can_smiles, iupac_name, iupac_traditional_name, inchikey, std_inchi
@@ -43,15 +45,15 @@ WHERE "Name" = 'Histidinemia'
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SELECT "CID"
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FROM c2b2r_chemogenomics
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WHERE TRIM(primary_source) != 'CTD'
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AND med_interested=1
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AND med_interested = 1
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AND "GENE" = 'TUBA1A' limit 10
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;
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--
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SELECT "GENE"
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FROM c2b2r_chemogenomics
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WHERE TRIM(primary_source) != 'CTD'
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AND med_interested=1
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AND "CID" = '443495'
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AND med_interested = 1
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AND "CID" = '444732'
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;
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--
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SELECT "CID", "GENE", primary_source
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FROM c2b2r_chemogenomics, c2b2r_compound_new
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WHERE c2b2r_chemogenomics."CID" = c2b2r_compound_new.cid
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AND TRIM(c2b2r_chemogenomics.primary_source) != 'CTD'
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AND c2b2r_chemogenomics.med_interested=1
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AND c2b2r_chemogenomics.med_interested = 1
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AND c2b2r_chemogenomics."GENE" = 'TUBA1A'
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;
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--

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