[OTDev] IBMC services

Alex Alex alex-explorer at yandex.ru
Sun Nov 1 10:32:08 CET 2009


Dear Colleagues,

We tried to realize OpenTox IBMC REST services, which should provide the calculation of MNA and QNA descriptors for chemical compounds.
During the work we created the IBMC – OpenTox web site:
http://195.178.207.160/opentox/IBMC.html. This site contains the information about API, which are provided by IBMC REST services.
The main REST operations realized by IBMC team are:
-	Feature definitions
-	Feature
-	Reference
-	Algorithms
Algorithms section currently includes two command line programs: MakeMNA and MakeQNA. To use these programs as web services, we configured the server with the following characteristics:
Windows 2008 WebServer
Apache 2.0.63
Tomcat 5.5
Apache Coyote 1.1
PHP 5.2.6.6
MySQL 5.4.28
JDK 1.5.0
The examples of MNA generated for a few compounds are presented below.
A Linux example call (command line) to retrieve a list of MNA descriptors for compounds would be:
curl -X GET -H 'Accept:text/uri-list'
http://195.178.207.160:8080/OpenTox/feature/compound/1/feature_definition/MNA/

curl -X GET -H 'Accept:text/uri-list'
http://195.178.207.160:8080/OpenTox/feature/compound/2/feature_definition/MNA/

curl -X GET -H 'Accept:text/uri-list'
http://195.178.207.160:8080/OpenTox/feature/compound/3/feature_definition/MNA/

curl -X GET -H 'Accept:text/uri-list'
http://195.178.207.160:8080/OpenTox/feature/compound/4/feature_definition/MNA/

curl -X GET -H 'Accept:text/uri-list'
http://195.178.207.160:8080/OpenTox/feature/compound/5/feature_definition/MNA/

For Poster (Mozilla Firefox) using GET method you could be obtained list of MNA descriptors for compounds:
http://195.178.207.160:8080/OpenTox/feature/compound/1/feature_definition/MNA
http://195.178.207.160:8080/OpenTox/feature/compound/2/feature_definition/MNA
http://195.178.207.160:8080/OpenTox/feature/compound/3/feature_definition/MNA
http://195.178.207.160:8080/OpenTox/feature/compound/4/feature_definition/MNA
http://195.178.207.160:8080/OpenTox/feature/compound/5/feature_definition/MNA

The work of these programs as REST operation services was realized on Windows server 2008 by socket.
Probably, application of socket could create some problems in further integration of different services in one server. So, currently, we are tried to apply cURL for further integration purpose. However, we have several questions about the realization of our service with cURL. May be, you could help us to find answers on these questions:
1) What do you use for curl query transaction?
2) How do you realize the processing of curl query transaction?
3) What do you use for this purpose?
We do hope that due to your assistance the IBMC – OpenTox services will be realized soon.

It seems that the problem how one could integrate programs, which are working on Windows, in the OpenTox framework requires the common decision, because OpenTox project expects that different developers can add their programs into OpenTox Framework, including programs which working only on Windows. Since, this appeared to be not very easy, it would be great to hear your opinion how to fix this problem.

Looking forward to hear from you soon.

Yours sincerely,
Alexey Zakharov



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