SubStructure Search

Good morning,

I am new to the forum and maybe the answer is obvious. I apologise in advance.

I am a chemist and I must develop an internet app to manage a MySQL database. I use Marvin applet (Academic Web Licence) to deal with chemical objects for input and viewing.

I am working on a search module : structure search can be done by inchi code search in the database but I would like to provide a search by substructure to my users like this example : http://www.chemaxon.com/jchem/examples/sss/index.jsp

Can it be done with Marvin applet ? I searched the forum and doc and finded nothing about it : I guess that is not possible.

Could you please tell me which package from Chemaxon could I use as an academic researcher with my licence ?

Thanks a lot and have a good day.

Nicolas

Marvin is not a searching tool.

JChem guys can give you intentions which product would be the best solution for you.

So I have moved your topic to JChem forum.

Ok,

sorry and thanks.

Nicolas

Hi Nicholas,

Welcome to the ChemAxon forums!

 

The Substructure search example uses two ChemAxon products: Marvin Applet and JChem Base.

Like you said, Marvin Applet handles the viewing and input of structures.  JChem Base handles the searching of a structure database (using any structure format including inchi).  Basically, these two pieces are tied together with some JSP code.  

Since you are looking at making a web app, you may also be interested in our AJAX example seen here:

http://www.chemaxon.com/ajax/

This also uses the Marvin Applet and JChem Web Services on top of JChem Base, but tied together with AJAX.

 

Here is the product page for JChem Base and Web Services

https://www.chemaxon.com/products/jchem-base/

https://www.chemaxon.com/products/jchem-web-services/

 

 

Here is our license details.

http://www.chemaxon.com/license-details-of-chemaxon-products/

If you need further licenses (you may need one for JChem Base), please see this page for Academic reserach and teaching:

http://www.chemaxon.com/free-software/

Hi JLee

thanks for your answer.

So if I want to do substructure searches, there is no other solution than JChem Base and WebServices.

As I am not fluent in jsp or ajax (i am a chemist...) is there any examples' code available please ?

Thanks again and have a nice day.

Nicolas

As I see from your links, my academic web licence seems to be valid for JChem Base : good news !

Thanks

Nicholas,

The examples (including the code) are included in the Jchem download

http://www.chemaxon.com/download/jchem/jchem-for-java/

 

These pages might also help you with setup and understanding

https://www.chemaxon.com/jchem/examples/index.html

https://www.chemaxon.com/products/online-tryouts/jchem-search/

Jon