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/MN
A/

 

curl -X GET -H 'Accept:text/uri-list'

http://195.178.207.160:8080/OpenTox/feature/compound/2/feature_definition/MN
A/

 

curl -X GET -H 'Accept:text/uri-list'

http://195.178.207.160:8080/OpenTox/feature/compound/3/feature_definition/MN
A/

 

curl -X GET -H 'Accept:text/uri-list'

http://195.178.207.160:8080/OpenTox/feature/compound/4/feature_definition/MN
A/

 

curl -X GET -H 'Accept:text/uri-list'

http://195.178.207.160:8080/OpenTox/feature/compound/5/feature_definition/MN
A/

 

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/MN
A

http://195.178.207.160:8080/OpenTox/feature/compound/2/feature_definition/MN
A

http://195.178.207.160:8080/OpenTox/feature/compound/3/feature_definition/MN
A

http://195.178.207.160:8080/OpenTox/feature/compound/4/feature_definition/MN
A

http://195.178.207.160:8080/OpenTox/feature/compound/5/feature_definition/MN
A

 

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