Web Service hERG - Prediction of cardiotoxicity of drugs SOAP

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This service has been archived because it may not be active anymore (or is close to being non active). Please do not use it as it may not be accessible.

Specified Name (from WSDL): WShERG_1_0c_ws0 |
No alternative names Add_annotation_inactiveAdd_annotation_inactiveLog in to add alternative_name
UNCHECKED
Annotations: 16 Total number of annotations from the provider's definition / description document. 1 Total number of annotations submitted by members of BioCatalogue. 14 Total number of annotations sourced from other registries. 1

Overview

Provider:
Center for Biological Sequence Analysis (CBS)

Location:
European Union

Submitter/Source:
rapacki (over 11 years ago)

Base URL:
http://ws.cbs.dtu.dk/cgi-bin/soap/ws/quasi-1.2c.cgi?log

WSDL Location:
http://www.cbs.dtu.dk/ws/hERG/hERG_1_0c_ws0.wsdl (download last cached WSDL file)

Description(s):
from provider's description doc (over 10 years ago)
		INTRODUCTION

		This Web Service implements hERG 1.0. It predicts cardiotoxicity of drug
		molecules. The method is described in detail in the following article:

		hERG Classification Model Based on a Combination of Support Vector Machine
		Method and GRIND Descriptors.
		Li Q, Joergensen FS, Oprea T, Brunak S, Taboureau O.
		Mol Pharm: 4;5:117-127, 2008.

		Alongside this Web Service the hERG method is also implemented as
		a traditional paste-and-click WWW server at:

		    http://www.cbs.dtu.dk/services/hERG-1.0/

		The traditional server offers extended functionality and comprehensive
		documentation. It is suitable for close investigation of few molecules;
		this service is recommended for high throughput projects.

		TECHNICAL NOTE

		The main output data type 'anndata' is reused from biological sequence
		analysis where it normally contains protein or nucleotide sequences annotations.
		This Web Service, however, is about molecules, not sequences. Therefore,
		the names of the tags e.g. 'sequence' might seem misleading. We have
		chosen to reuse some data types anyway as they have proved very versatile.

		WEB SERVICE OPERATION

		This Web Service is fully asynchronous; the usage is split into the
		following three operations:

		1. runService    

		   Input:  The following parameters and data:

		           * sort             sort the output by predicted cardiotoxicity
		                              (no value, just presence/absence);
																	
		           * moleculedata     mulitple elements of type 'molecule':
		             * molecule         answers to one molecule:
		               * id               unique identifier for the molecule
		               * comment          optional comment (ignored by this service)
		               * smiles           molecule description string in SMI format

		   Output: Unique job identifier

		2. pollQueue

		   Input:  Unique job identifier

		   Output: 'jobstatus' - the status of the job
		           Possible values are QUEUED, ACTIVE, FINISHED, WAITING,
		           REJECTED, UNKNOWN JOBID or QUEUE DOWN

		3. fetchResult

		   Input:  Unique job identifier of a FINISHED job

		   Output: * 'annsource'
		               'method'              name of the method, here always 'hERG';
		               'version'             version of the method: here always 1.0c;

		             'ann'                   annotations - one element per input molecule
		               'sequence'              standard sequence object (reused for molecules)
		                 'id'                  molecule identifier
		               'annrecords/annrecord'
		                 'feature'             feature name, here always 'hERG';
		                 'global'              always present, indicates the whole molecule 
		                 'score'
		                   'key'                 here always: main
		                   'value'               score value
		                 'comment'             answer: high, low or '-'
		CONTACT

		Questions concerning the scientific aspects of the hERG method should
		go to Olivier Taboureau, otab@cbs.dtu.dk; technical questions concerning
		the Web Service should go to Edita Bartaseviciute, edita@cbs.dtu.dk or
		Kristoffer Rapacki, rapacki@cbs.dtu.dk.
by rapacki (over 10 years ago)

This Web Service predicts cardiotoxicity of drug molecules. The method is described in detail in the following article:

hERG Classification Model Based on a Combination of Support Vector Machine Method and GRIND Descriptors. Li Q, Joergensen FS, Oprea T,

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