screening / similarity searches from PHP

User 42945ad55e

05-12-2011 17:39:47

I have received a response regarding the licensing from your team, though I still have one question (likely of interest to other users as well):


Is there a way to preform screening / similarity searches from PHP (via Axis2 / SOAP) - or must this be done through the JSP or .NET APIs?

ChemAxon b124dd5f17

07-12-2011 12:11:16

I moved to this forum, they can help but I am sure you can do this


Cheers/Alex

User c1ce6b3d19

08-12-2011 15:17:13

OPeters,


You can use JChem Web Services to call our JChem suite of tools including running structure and similarity searches.  JChem Web Services provide a SOAP interface for many web services compatible programming languages including PHP. The JChem Search Web Service would probably be most useful for you. 


 


JChem Web Services Product Page:


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


JChem Web Services Developers Guide:


http://www.chemaxon.com/webservices/developersGuide.html


PHP specific developers guide:


http://www.chemaxon.com/webservices/php/index.html


 


Jonathan Lee

User 1b64124363

03-04-2012 12:14:42

Hi,


Just wanted to know if I can get simple code for substructure search
in PHP?....I did lot of efforts and posted my problem in lot of forms
..but i am not getting any help.


Is there any one who can help me
in sub structural search. i am developing my application in PHP. And i
am using Smiles for search, but not getting the accurate results....plz
help


I dont want to buy Jchem web services as i am developing my own web interface...i am gtng stucked at search ......plz

User 42945ad55e

03-04-2012 18:04:11

@Seerat:


I had a lot of trouble getting JChem Web Services to work as well; mostly because I found the SOAP interface to be poorly documented (examples would help very much).


In the end, I got this working by accessing the 'jcsearch'  command-line utility (for substructure searching), called through PHP's exec() function.


I use this function to read from a MySQL database. And because 'jcsearch' must output to a file (ie I have never found a way to get to output directly into MySQL), I use the 'jcman' function to import the resultant .sdf file into MySQL again.


This is inefficient and very inelegant, but it works and is very simple to code.














Seerat wrote:

Hi,


Just wanted to know if I can get simple code for substructure search
in PHP?....I did lot of efforts and posted my problem in lot of forms
..but i am not getting any help.


Is there any one who can help me
in sub structural search. i am developing my application in PHP. And i
am using Smiles for search, but not getting the accurate results....plz
help


I dont want to buy Jchem web services as i am developing my own web interface...i am gtng stucked at search ......plz


ChemAxon e07e2a364b

06-04-2012 12:16:15

Hi Seerat,


   Could you be more specific? Do you want to use jchem from a PHP application?


 













Seerat wrote:

Hi,


Just wanted to know if I can get simple code for substructure search
in PHP?....I did lot of efforts and posted my problem in lot of forms
..but i am not getting any help.


Is there any one who can help me
in sub structural search. i am developing my application in PHP. And i
am using Smiles for search, but not getting the accurate results....plz
help


I dont want to buy Jchem web services as i am developing my own web interface...i am gtng stucked at search ......plz


ChemAxon e07e2a364b

06-04-2012 12:20:05










OPeters wrote:

@Seerat:



I had a lot of trouble getting JChem Web Services to work as well; mostly because I found the SOAP interface to be poorly documented (examples would help very much).




Hi OPeters,


   The webservcies package contains several examples for each programming language (PHP, C++, etc.) Please, let us know what do you miss from the documetation exactly?

User 1b64124363

07-05-2012 05:44:30

Hi OPeters,


 


I am aslo doing sub structural search in PHP...using Jcsearch


In command line i am getint the result , but when i am using the same command in PHP through exec or system command as show below


system('"C:\Program Files\ChemAxon\JChem\bin\jcsearch" -q "c1ccoc1" -f  sdf C:\Xampp\htdocs\temp\441mcd.sdf" >"C:\Xampp\htdocs\temp\output.sdf"' );


i am not getting any output.....


plz tell what to do den....i think i have to modify my httpd.conf file..but dont know how..plz help


 


And one thing more....from jcsearch we will get the op in file...den wat to do get o/pdirectly from database.


plz reply fast ...it is urgent


 

ChemAxon e07e2a364b

12-05-2012 06:54:51

Hi Seerat,


   Is the command "C:\Program Files\ChemAxon\JChem\bin\jcsearch" -q "c1ccoc1" -f  sdf C:\Xampp\htdocs\temp\441mcd.sdf" >"C:\Xampp\htdocs\temp\output.sdf" works from the command line?