API - Documentation

Here we provide an API (Application Programming Interface) to help users in integrating DPD-Cancer into their research pipelines. In a nutshell, all predictive jobs submitted to DPD-Cancer's server are linked with a unique ID. This ID can be used to query the status of the job and to retrieve its results (after submission being processed).

Job Submission Via API

You should always use the following URL to submit your jobs via API

POST

Arguments:

• Input - Provide query molecule(s) via the following options:
• SMILES_string - Single SMILES string
• SMILES_file - a list of SMILES string(s)
• SDF_file - a list of SDF structure(s)
• email (optional) - Email for contact when the job is finished
• pred_type - The type of prediction to be done in relation to the cancer type. Options are:
• Breast
• CNS
• Colon
• Leukemia
• Melanoma
• NonSmallCellLung
• Ovarian
• Prostate
• Renal
• SmallCellLung
• RunAll (default)

Return:

• job_id - ID used for uniquely identify each job

Examples (using curl):

curl  https://biosig.lab.uq.edu.au/dpd_cancer/api/predict -X POST -i -F smiles="COC1=C(O)C=C2C(OC(=O)C=C2C2=CC(O)=C(O)C=C2)=C1" -F pred_type="RunAll"

curl  https://biosig.lab.uq.edu.au/dpd_cancer/api/predict -X POST -i -F smiles_file=@dpd_cancer_example.smi -F pred_type="Runall"
            	
            

Example of Response from the DPD-Cancer Server:

                HTTP/1.0 200 OK
                Content-Type: application/json
                Content-Length: 45                
                {
                    "job_id": "RunAll_1774093284.3810422"
                }
			

GET

Arguments:

• job_id - ID used for uniquely identify each job.

Return:

For jobs still being processed or waiting on queue, the message below will be returned from querying the respective sample(s):

{
    "status": "running"
}
			

Examples (using curl):

curl  https://biosig.lab.uq.edu.au/dpd_cancer/api/predict -X GET -F job_id="RunAll_1774093284.3810422"            	
            

Example of Response from the Deep-PK's Server:

After processed, users will get information for each predictive category chosen and its respective models. Information include the category of the model, the machine learning task, the unit, the SMILES, and the prediction.

Models are identified by molecule as users can submit a job containing several molecules at the same time into files (as shown bellow).

               "{"0": {	
               		"smiles":"COC1=C(O)C=C2C(OC(=O)C=C2C2=CC(O)=C(O)C=C2)=C1",
			"clf_prob_active":0.0057979175,
			"clf_threshold":0.5,
			"clf_label":0,
			"786_0":4.4360399246,
			"A498":4.5277433395,
			"A549_ATCC":4.4144368172,
			"ACHN":4.6900076866,
			"BT_549":4.9758143425,
			"CAKI_1":4.4231915474,
			"CCRF_CEM":4.4557471275,
			"COLO_205":4.2724947929,
			"DLD_1":4.0846176147,
			"DMS_114":4.0959434509,
			"DMS_273":4.0480651855,
			"DU_145":4.0210671425,
			"EKVX":4.2355055809,
			"HCC_2998":4.1685304642,
			"HCT_116":4.2201943398,
			"HCT_15":4.3342847824,
			"HL_60_TB":3.9699838161,
			"HOP_18":4.1516089439,
			"HOP_62":4.2516365051,
			"HOP_92":4.7874531746,
			"HS_578T":4.6311163902,
			"HT29":4.2810096741,
			"IGROV1":4.6018891335,
			"KM12":4.1146583557,
			"KM20L2":4.0383701324,
			"K_562":4.768157959,
			"LOX_IMVI":4.5128507614,
			"LXFL_529":4.0361523628,
			"M14":4.1206765175,
			"M19_MEL":4.068464756,
			"MALME_3M":4.1542859077,
			"MCF7":4.9776482582,
			"MDA_MB_231_ATCC":4.23250103,
			"MDA_MB_435":4.3577237129,
			"MDA_MB_468":6.3527503014,
			"MDA_N":3.983802557,
			"MOLT_4":4.3539943695,
			"NCI_ADR_RES":4.2657413483,
			"NCI_H226":4.142206192,
			"NCI_H23":4.8103885651,
			"NCI_H322M":4.0792546272,
			"NCI_H460":4.3410625458,
			"NCI_H522":5.0478229523,
			"OVCAR_3":5.0642495155,
			"OVCAR_4":4.3875398636,
			"OVCAR_5":4.2228932381,
			"OVCAR_8":4.2988238335,
			"PC_3":4.5412020683,
			"RPMI_8226":4.4857902527,
			"RXF_393":4.2528591156,
			"RXF_631":4.0443024635,
			"SF_268":4.386179924,
			"SF_295":3.9985074997,
			"SF_539":4.6979990005,
			"SK_MEL_2":5.2527966499,
			"SK_MEL_28":4.4677591324,
			"SK_MEL_5":4.5916228294,
			"SK_OV_3":4.2570633888,
			"SN12C":4.1702184677,
			"SN12K1":4.5697464943,
			"SNB_19":4.6317725182,
			"SNB_75":4.3416676521,
			"SNB_78":4.4593319893,
			"SR":4.179104805,
			"SW_620":4.4144525528,
			"TK_10":4.306678772,
			"T_47D":4.645380497,
			"U251":4.6873102188,
			"UACC_257":4.3041496277,
			"UACC_62":4.230489254,
			"UO_31":4.1905283928,
			"U_87_H_FINE":4.5975008011,
			"XF_498":4.2213206291
		      }
                }"
			

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